4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide

C15H16ClN3O — CID 81240859

IUPAC4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-10-7-14(17)12(8-18-10)15(20)19(2)9-11-5-3-4-6-13(11)16/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyVRVIVABJDDMHNB-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.90
Rot. Bonds3

About 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide

4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81240859) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID81240859
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-10-7-14(17)12(8-18-10)15(20)19(2)9-11-5-3-4-6-13(11)16/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyVRVIVABJDDMHNB-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

N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
CID 81238660
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61117952
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
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-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide (CID 81240859) is 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide is Cc1cc(N)c(C(=O)N(C)Cc2ccccc2Cl)cn1.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is VRVIVABJDDMHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-7-14(17)12(8-18-10)15(20)19(2)9-11-5-3-4-6-13(11)16/h3-8H,9H2,1-2H3,(H2,17,18).
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
4-amino-N-[(2-chlorophenyl)methyl]-N,6-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 4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81240859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).