5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C21H22N4O3 — CID 109191185

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NCc3cccnc3)nc2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-27-19-8-5-15(10-20(19)28-2)12-23-17-6-7-18(24-14-17)21(26)25-13-16-4-3-9-22-11-16/h3-11,14,23H,12-13H2,1-2H3,(H,25,26)
InChIKeySIIWMWGERTWLPE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.04
Rot. Bonds8

About 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191185) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109191185
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NCc3cccnc3)nc2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-27-19-8-5-15(10-20(19)28-2)12-23-17-6-7-18(24-14-17)21(26)25-13-16-4-3-9-22-11-16/h3-11,14,23H,12-13H2,1-2H3,(H,25,26)
InChIKeySIIWMWGERTWLPE-UHFFFAOYSA-N
XLogP3.04
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283227
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109191185) is 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is COc1ccc(CNc2ccc(C(=O)NCc3cccnc3)nc2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SIIWMWGERTWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-19-8-5-15(10-20(19)28-2)12-23-17-6-7-18(24-14-17)21(26)25-13-16-4-3-9-22-11-16/h3-11,14,23H,12-13H2,1-2H3,(H,25,26).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).