N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H18ClN3O2 — CID 75499293

IUPACN-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCNc1ccc(Cl)cc1NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C16H18ClN3O2/c1-3-6-18-13-5-4-11(17)8-14(13)20-16(22)12-9-19-10(2)7-15(12)21/h4-5,7-9,18H,3,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySDCLTQYETQOVHN-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.41
Rot. Bonds5

About N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 75499293) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID75499293
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCNc1ccc(Cl)cc1NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C16H18ClN3O2/c1-3-6-18-13-5-4-11(17)8-14(13)20-16(22)12-9-19-10(2)7-15(12)21/h4-5,7-9,18H,3,6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySDCLTQYETQOVHN-UHFFFAOYSA-N
XLogP3.41
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696175
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
N-(2-chloro-5-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717937
N-(2-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 110858598
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
N-(5-bromo-2-chloro-3-pyridinyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114052084
N-[5-chloro-2-(propylamino)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 75382285
5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide
CID 63563766
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
N-(4-methoxy-2-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717918
N-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696188

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 75499293) is N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCCNc1ccc(Cl)cc1NC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SDCLTQYETQOVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-3-6-18-13-5-4-11(17)8-14(13)20-16(22)12-9-19-10(2)7-15(12)21/h4-5,7-9,18H,3,6H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75499293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).