N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

C16H18ClN3O — CID 109201602

IUPACN-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NC(C)C)ccn1
InChIInChI=1S/C16H18ClN3O/c1-10(2)19-13-6-7-18-15(9-13)16(21)20-14-8-12(17)5-4-11(14)3/h4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyIFMMTIISTVIMON-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.12
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide

N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109201602) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109201602
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NC(C)C)ccn1
InChIInChI=1S/C16H18ClN3O/c1-10(2)19-13-6-7-18-15(9-13)16(21)20-14-8-12(17)5-4-11(14)3/h4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyIFMMTIISTVIMON-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201663
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310
N-(3,5-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201582
N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
methyl 3-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221158
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080959
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide (CID 109201602) is N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(NC(C)C)ccn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is IFMMTIISTVIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(2)19-13-6-7-18-15(9-13)16(21)20-14-8-12(17)5-4-11(14)3/h4-10H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).