N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

C21H21N3O4 — CID 109162123

IUPACN-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)Nc3ccccc3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O4/c1-26-17-11-16(12-18(27-2)20(17)28-3)23-19-10-9-14(13-22-19)21(25)24-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyCJFYMJHNMIQRMU-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.10
Rot. Bonds7

About N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109162123) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
PubChem CID109162123
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)Nc3ccccc3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H21N3O4/c1-26-17-11-16(12-18(27-2)20(17)28-3)23-19-10-9-14(13-22-19)21(25)24-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyCJFYMJHNMIQRMU-UHFFFAOYSA-N
XLogP4.10
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937
6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109152022
6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (CID 109162123) is N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is COc1cc(Nc2ccc(C(=O)Nc3ccccc3)cn2)cc(OC)c1OC.
What is the InChIKey of N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is CJFYMJHNMIQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-17-11-16(12-18(27-2)20(17)28-3)23-19-10-9-14(13-22-19)21(25)24-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109162123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).