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

C21H22N4O4 — CID 109191002

IUPACN-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-27-18-10-16(11-19(28-2)20(18)29-3)25-15-7-8-17(23-13-15)21(26)24-12-14-6-4-5-9-22-14/h4-11,13,25H,12H2,1-3H3,(H,24,26)
InChIKeyIMMSZANDMWKVLK-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.18
Rot. Bonds8

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

N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109191002) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
PubChem CID109191002
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-27-18-10-16(11-19(28-2)20(18)29-3)25-15-7-8-17(23-13-15)21(26)24-12-14-6-4-5-9-22-14/h4-11,13,25H,12H2,1-3H3,(H,24,26)
InChIKeyIMMSZANDMWKVLK-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

5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (CID 109191002) is N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is COc1cc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc(OC)c1OC.
What is the InChIKey of N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is IMMSZANDMWKVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-18-10-16(11-19(28-2)20(18)29-3)25-15-7-8-17(23-13-15)21(26)24-12-14-6-4-5-9-22-14/h4-11,13,25H,12H2,1-3H3,(H,24,26).
What are the key properties of N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-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-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109191002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).