N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide

C16H18ClN3O — CID 81238660

IUPACN-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-8-15(18-2)13(9-19-11)16(21)20(3)10-12-6-4-5-7-14(12)17/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyFRHBUBQCOIBROX-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.36
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81238660) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81238660
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-8-15(18-2)13(9-19-11)16(21)20(3)10-12-6-4-5-7-14(12)17/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyFRHBUBQCOIBROX-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81239957
N,N-diethyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236532
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide (CID 81238660) is N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is FRHBUBQCOIBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-8-15(18-2)13(9-19-11)16(21)20(3)10-12-6-4-5-7-14(12)17/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).