N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one

C98H103N25O15S3 — CID 172942792

About N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one

N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 172942792) has the molecular formula C98H103N25O15S3 and a molecular weight of 1967.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one
• PubChem CID: 172942792
• Molecular Formula: C98H103N25O15S3
• Molecular Weight: 1967.26 g/mol
• Exact Mass: 1965.72
• IUPAC Name: N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one
• SMILES: C/C(=N\NC(=O)c1ccco1)c1ccc(C)o1.CC(C(=O)N/N=C/c1ccco1)n1nnc2ccccc21.CCCC1NC(=S)N(c2ccccc2)C1=O.CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S.COc1cccc(/C=N/NC(=O)c2ccn(C)n2)c1O.NCCCNC(=O)C1Cc2ncn(Cc3ccccc3[N+](=O)[O-])c2CN1Cc1ccccn1.O=C(Cc1cccs1)N/N=C\c1ccco1
• InChI: InChI=1S/C23H27N7O3.C14H13N5O2.C13H14N4O3.C13H13N3OS.C12H12N2O3.C12H14N2OS.C11H10N2O2S/c24-9-5-11-26-23(31)21-12-19-22(15-28(21)14-18-7-3-4-10-25-18)29(16-27-19)13-17-6-1-2-8-20(17)30(32)33;1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19;1-17-7-6-10(16-17)13(19)15-14-8-9-4-3-5-11(20-2)12(9)18;1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10;1-8-5-6-10(17-8)9(2)13-14-12(15)11-4-3-7-16-11;1-2-6-10-11(15)14(12(16)13-10)9-7-4-3-5-8-9;14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-4,6-8,10,16,21H,5,9,11-15,24H2,(H,26,31);2-10H,1H3,(H,17,20);3-8,18H,1-2H3,(H,15,19);2-5,7,11,14H,6H2,1H3,(H,15,18);3-7H,1-2H3,(H,14,15);3-5,7-8,10H,2,6H2,1H3,(H,13,16);1-6,8H,7H2,(H,13,14)/b;15-9+;14-8+;;13-9+;;12-8-
• InChIKey: CLXFJVNASDAFLW-CNPJRFJCSA-N
• XLogP: 12.13
• TPSA: 509.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1967.26
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one?

The IUPAC name of N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one (CID 172942792) is N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one.

What is the SMILES notation for N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one?

The canonical SMILES for N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one is C/C(=N\NC(=O)c1ccco1)c1ccc(C)o1.CC(C(=O)N/N=C/c1ccco1)n1nnc2ccccc21.CCCC1NC(=S)N(c2ccccc2)C1=O.CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S.COc1cccc(/C=N/NC(=O)c2ccn(C)n2)c1O.NCCCNC(=O)C1Cc2ncn(Cc3ccccc3[N+](=O)[O-])c2CN1Cc1ccccn1.O=C(Cc1cccs1)N/N=C\c1ccco1.

What is the InChIKey of N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one?

The InChIKey is CLXFJVNASDAFLW-CNPJRFJCSA-N. The full InChI is InChI=1S/C23H27N7O3.C14H13N5O2.C13H14N4O3.C13H13N3OS.C12H12N2O3.C12H14N2OS.C11H10N2O2S/c24-9-5-11-26-23(31)21-12-19-22(15-28(21)14-18-7-3-4-10-25-18)29(16-27-19)13-17-6-1-2-8-20(17)30(32)33;1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19;1-17-7-6-10(16-17)13(19)15-14-8-9-4-3-5-11(20-2)12(9)18;1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10;1-8-5-6-10(17-8)9(2)13-14-12(15)11-4-3-7-16-11;1-2-6-10-11(15)14(12(16)13-10)9-7-4-3-5-8-9;14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-4,6-8,10,16,21H,5,9,11-15,24H2,(H,26,31);2-10H,1H3,(H,17,20);3-8,18H,1-2H3,(H,15,19);2-5,7,11,14H,6H2,1H3,(H,15,18);3-7H,1-2H3,(H,14,15);3-5,7-8,10H,2,6H2,1H3,(H,13,16);1-6,8H,7H2,(H,13,14)/b;15-9+;14-8+;;13-9+;;12-8-.

What are the key properties of N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one?

N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 1967.26 g/mol, XLogP of 12.13, 29 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-3-[(2-nitrophenyl)methyl]-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide;2-(benzotriazol-1-yl)-N-[(E)-furan-2-ylmethylideneamino]propanamide;N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide;N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide;5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one;N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide;3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 172942792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).