N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide

C16H18ClN3O2 — CID 86801277

IUPACN-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(N(C)C)ccn2)cc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-19(2)11-7-8-18-14(10-11)16(21)20(3)12-5-6-15(22-4)13(17)9-12/h5-10H,1-4H3
InChIKeyQLSMWPTXNNBRID-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.09
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide (PubChem CID 86801277) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
PubChem CID86801277
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(N(C)C)ccn2)cc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-19(2)11-7-8-18-14(10-11)16(21)20(3)12-5-6-15(22-4)13(17)9-12/h5-10H,1-4H3
InChIKeyQLSMWPTXNNBRID-UHFFFAOYSA-N
XLogP3.09
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 71920533
N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 99714138
4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 86804697
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
2-(3-chloro-4-methoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176346
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide
CID 71920410
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
CID 138968408

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide (CID 86801277) is N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide is COc1ccc(N(C)C(=O)c2cc(N(C)C)ccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide?
The InChIKey is QLSMWPTXNNBRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-19(2)11-7-8-18-14(10-11)16(21)20(3)12-5-6-15(22-4)13(17)9-12/h5-10H,1-4H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 86801277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).