2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide

C25H30N6O4 — CID 74229207

IUPAC2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
SMILESCO/N=C(/C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCCn2ccnc2)CC1)c1ccco1
InChIInChI=1S/C25H30N6O4/c1-18-6-7-20(24(32)27-10-4-12-30-15-11-26-17-30)22(28-18)19-8-13-31(14-9-19)25(33)23(29-34-2)21-5-3-16-35-21/h3,5-7,11,15-17,19H,4,8-10,12-14H2,1-2H3,(H,27,32)/b29-23+
InChIKeyXGIOBESPZLAJSY-BYNJWEBRSA-N
MW478.55 g/mol
LogP2.76
Rot. Bonds9

About 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide

2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide (PubChem CID 74229207) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
PubChem CID74229207
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
SMILESCO/N=C(/C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCCn2ccnc2)CC1)c1ccco1
InChIInChI=1S/C25H30N6O4/c1-18-6-7-20(24(32)27-10-4-12-30-15-11-26-17-30)22(28-18)19-8-13-31(14-9-19)25(33)23(29-34-2)21-5-3-16-35-21/h3,5-7,11,15-17,19H,4,8-10,12-14H2,1-2H3,(H,27,32)/b29-23+
InChIKeyXGIOBESPZLAJSY-BYNJWEBRSA-N
XLogP2.76
TPSA114.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3789960
2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3596851
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3470783
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 4994763
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3804624
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 5010235
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(pent-3-enoylamino)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3310878
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3787919
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6177910
2-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
CID 3728266
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide (CID 74229207) is 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide is CO/N=C(/C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCCn2ccnc2)CC1)c1ccco1.
What is the InChIKey of 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The InChIKey is XGIOBESPZLAJSY-BYNJWEBRSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-18-6-7-20(24(32)27-10-4-12-30-15-11-26-17-30)22(28-18)19-8-13-31(14-9-19)25(33)23(29-34-2)21-5-3-16-35-21/h3,5-7,11,15-17,19H,4,8-10,12-14H2,1-2H3,(H,27,32)/b29-23+.
What are the key properties of 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 74229207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).