6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide

C16H16ClN3O4 — CID 156880859

IUPAC6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H16ClN3O4/c1-18-16(22)12-8-19-14(17)7-13(12)20-15(21)9-4-10(23-2)6-11(5-9)24-3/h4-8H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyPHVRIWABYRNAAL-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.36
Rot. Bonds5

About 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide

6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 156880859) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID156880859
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)cc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H16ClN3O4/c1-18-16(22)12-8-19-14(17)7-13(12)20-15(21)9-4-10(23-2)6-11(5-9)24-3/h4-8H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyPHVRIWABYRNAAL-UHFFFAOYSA-N
XLogP2.36
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide
CID 156880888
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 156880958
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612
3-hydroxy-5-methoxy-N-methylbenzamide
CID 59127123
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
tert-butyl N-[[3-[[2-chloro-5-(methylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoyl]amino]carbamate
CID 90135042

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide (CID 156880859) is 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Cl)cc1NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is PHVRIWABYRNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-18-16(22)12-8-19-14(17)7-13(12)20-15(21)9-4-10(23-2)6-11(5-9)24-3/h4-8H,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide?
6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 349.77 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3,5-dimethoxybenzoyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 156880859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).