N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide

C16H18ClN3O2 — CID 109179760

IUPACN-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC(C)C)cn1
InChIInChI=1S/C16H18ClN3O2/c1-10(2)19-12-5-6-13(18-9-12)16(21)20-14-8-11(17)4-7-15(14)22-3/h4-10,19H,1-3H3,(H,20,21)
InChIKeyVNZSPGSGUPFJOD-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.82
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109179760) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109179760
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC(C)C)cn1
InChIInChI=1S/C16H18ClN3O2/c1-10(2)19-12-5-6-13(18-9-12)16(21)20-14-8-11(17)4-7-15(14)22-3/h4-10,19H,1-3H3,(H,20,21)
InChIKeyVNZSPGSGUPFJOD-UHFFFAOYSA-N
XLogP3.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179771
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189781
5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109199397
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
N-(2,5-dimethoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181332
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109181762
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109199643
5-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104642218

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide (CID 109179760) is N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NC(C)C)cn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is VNZSPGSGUPFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10(2)19-12-5-6-13(18-9-12)16(21)20-14-8-11(17)4-7-15(14)22-3/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).