3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide

C14H14ClN3O — CID 104741524

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ncccc1N
InChIInChI=1S/C14H14ClN3O/c1-18(9-10-4-2-5-11(15)8-10)14(19)13-12(16)6-3-7-17-13/h2-8H,9,16H2,1H3
InChIKeyLVBKKHLFIYKHEI-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.59
Rot. Bonds3

About 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide

3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 104741524) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID104741524
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ncccc1N
InChIInChI=1S/C14H14ClN3O/c1-18(9-10-4-2-5-11(15)8-10)14(19)13-12(16)6-3-7-17-13/h2-8H,9,16H2,1H3
InChIKeyLVBKKHLFIYKHEI-UHFFFAOYSA-N
XLogP2.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62236819
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
3-amino-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741078

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 104741524) is 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is LVBKKHLFIYKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18(9-10-4-2-5-11(15)8-10)14(19)13-12(16)6-3-7-17-13/h2-8H,9,16H2,1H3.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide?
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104741524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).