N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide

C15H16ClN3O — CID 105068441

IUPACN-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-3-18-14-9-17-7-6-11(14)15(20)19-13-5-4-10(2)8-12(13)16/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeySXLCOWDMMFSTIP-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.73
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide

N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105068441) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105068441
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-3-18-14-9-17-7-6-11(14)15(20)19-13-5-4-10(2)8-12(13)16/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeySXLCOWDMMFSTIP-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439
N-(4-bromo-3-chlorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 107616662
N-(3,5-difluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068357
N-(2-chloro-4-methylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165610
N-(4-cyano-2-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070875
N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070921
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
N-(2-chloro-4-iodophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107606116
3-(ethylamino)-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070563

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide (CID 105068441) is N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is SXLCOWDMMFSTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-18-14-9-17-7-6-11(14)15(20)19-13-5-4-10(2)8-12(13)16/h4-9,18H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide?
N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).