N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide

C16H18ClN3O — CID 81237023

IUPACN-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-10-8-15(18-3)14(9-19-10)16(21)20-11(2)12-4-6-13(17)7-5-12/h4-9,11H,1-3H3,(H,18,19)(H,20,21)
InChIKeyKUQPAYUCJHTZOW-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81237023) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81237023
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-10-8-15(18-3)14(9-19-10)16(21)20-11(2)12-4-6-13(17)7-5-12/h4-9,11H,1-3H3,(H,18,19)(H,20,21)
InChIKeyKUQPAYUCJHTZOW-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218085
6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236299
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
6-methyl-4-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 81234798
N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233584
N-(5-chloro-2-methoxyphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237297
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
N-(1-cyclopropylpropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242031
N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 850733
N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245835

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81237023) is N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is KUQPAYUCJHTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-8-15(18-3)14(9-19-10)16(21)20-11(2)12-4-6-13(17)7-5-12/h4-9,11H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81237023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).