5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide

C15H16ClN3O — CID 61117952

IUPAC5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-10-13(7-12(17)8-18-10)15(20)19(2)9-11-5-3-4-6-14(11)16/h3-8H,9,17H2,1-2H3
InChIKeyNFBIWDJSKDWMMQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.90
Rot. Bonds3

About 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide

5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 61117952) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID61117952
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c1-10-13(7-12(17)8-18-10)15(20)19(2)9-11-5-3-4-6-14(11)16/h3-8H,9,17H2,1-2H3
InChIKeyNFBIWDJSKDWMMQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61112841
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
CID 81238660
5-amino-N,2-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 61040317
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide (CID 61117952) is 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is NFBIWDJSKDWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-13(7-12(17)8-18-10)15(20)19(2)9-11-5-3-4-6-14(11)16/h3-8H,9,17H2,1-2H3.
What are the key properties of 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide?
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 61117952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).