N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide

C21H22N4O4 — CID 109172063

IUPACN-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)NCc3ccncc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-27-17-11-16(12-18(28-2)20(17)29-3)25-19-10-15(6-9-23-19)21(26)24-13-14-4-7-22-8-5-14/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyMWMUIFMUHVANSS-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.18
Rot. Bonds8

About N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide

N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide (PubChem CID 109172063) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
PubChem CID109172063
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)NCc3ccncc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-27-17-11-16(12-18(28-2)20(17)29-3)25-19-10-15(6-9-23-19)21(26)24-13-14-4-7-22-8-5-14/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyMWMUIFMUHVANSS-UHFFFAOYSA-N
XLogP3.18
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171988
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide (CID 109172063) is N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide is COc1cc(Nc2cc(C(=O)NCc3ccncc3)ccn2)cc(OC)c1OC.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
The InChIKey is MWMUIFMUHVANSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-17-11-16(12-18(28-2)20(17)29-3)25-19-10-15(6-9-23-19)21(26)24-13-14-4-7-22-8-5-14/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109172063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).