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

C22H23N3O4 — CID 109176250

IUPACN-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)Nc3cccc(C)c3)ccn2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14-6-5-7-16(10-14)25-22(26)15-8-9-23-20(11-15)24-17-12-18(27-2)21(29-4)19(13-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyJVYMYKVBBSOJGU-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.41
Rot. Bonds7

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

N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide (PubChem CID 109176250) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
PubChem CID109176250
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1cc(Nc2cc(C(=O)Nc3cccc(C)c3)ccn2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-14-6-5-7-16(10-14)25-22(26)15-8-9-23-20(11-15)24-17-12-18(27-2)21(29-4)19(13-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26)
InChIKeyJVYMYKVBBSOJGU-UHFFFAOYSA-N
XLogP4.41
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109172063
2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109175043
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
methyl 3-[[4-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109176715
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide (CID 109176250) is N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide is COc1cc(Nc2cc(C(=O)Nc3cccc(C)c3)ccn2)cc(OC)c1OC.
What is the InChIKey of N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
The InChIKey is JVYMYKVBBSOJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-6-5-7-16(10-14)25-22(26)15-8-9-23-20(11-15)24-17-12-18(27-2)21(29-4)19(13-17)28-3/h5-13H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide?
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).