2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide

C24H28N8O4S — CID 44516695

IUPAC2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
SMILESCCCOc1c(C(=O)N/N=C\c2cccnc2N)sc(C(=O)N/N=C\c2cccnc2N)c1OCCC
InChIInChI=1S/C24H28N8O4S/c1-3-11-35-17-18(36-12-4-2)20(24(34)32-30-14-16-8-6-10-28-22(16)26)37-19(17)23(33)31-29-13-15-7-5-9-27-21(15)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,25,27)(H2,26,28)(H,31,33)(H,32,34)/b29-13-,30-14-
InChIKeyRWIWIKOMTBPWOM-VVAFTLCXSA-N
MW524.61 g/mol
LogP2.81
Rot. Bonds12

About 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide

2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide (PubChem CID 44516695) has the molecular formula C24H28N8O4S and a molecular weight of 524.61 g/mol. Its IUPAC name is 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
PubChem CID44516695
Molecular FormulaC24H28N8O4S
Molecular Weight524.61 g/mol
Exact Mass524.20
IUPAC Name2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
SMILESCCCOc1c(C(=O)N/N=C\c2cccnc2N)sc(C(=O)N/N=C\c2cccnc2N)c1OCCC
InChIInChI=1S/C24H28N8O4S/c1-3-11-35-17-18(36-12-4-2)20(24(34)32-30-14-16-8-6-10-28-22(16)26)37-19(17)23(33)31-29-13-15-7-5-9-27-21(15)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,25,27)(H2,26,28)(H,31,33)(H,32,34)/b29-13-,30-14-
InChIKeyRWIWIKOMTBPWOM-VVAFTLCXSA-N
XLogP2.81
TPSA179.20 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
CID 135867861
[(E)-(2-amino-3-pyridinyl)methylideneamino]urea
CID 122358737
2-N,5-N-bis[(E)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 45484478
2-N,5-N-bis[(Z)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 44517027
3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 54585208
4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110338438
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 41089982
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide (CID 44516695) is 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide is CCCOc1c(C(=O)N/N=C\c2cccnc2N)sc(C(=O)N/N=C\c2cccnc2N)c1OCCC.
What is the InChIKey of 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide?
The InChIKey is RWIWIKOMTBPWOM-VVAFTLCXSA-N. The full InChI is InChI=1S/C24H28N8O4S/c1-3-11-35-17-18(36-12-4-2)20(24(34)32-30-14-16-8-6-10-28-22(16)26)37-19(17)23(33)31-29-13-15-7-5-9-27-21(15)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,25,27)(H2,26,28)(H,31,33)(H,32,34)/b29-13-,30-14-.
What are the key properties of 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide?
2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide has a molecular weight of 524.61 g/mol, XLogP of 2.81, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide is sourced from PubChem (CID 44516695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).