N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide

C15H16ClN3O — CID 62179082

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-17-14-13(7-4-8-18-14)15(20)19(2)10-11-5-3-6-12(16)9-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyKBPAYWPQOJFSCM-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.05
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62179082) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
PubChem CID62179082
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-17-14-13(7-4-8-18-14)15(20)19(2)10-11-5-3-6-12(16)9-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyKBPAYWPQOJFSCM-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62176252
5-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62179255
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
CID 103721743
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81239957
N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622
N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62236819
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide (CID 62179082) is N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is KBPAYWPQOJFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-14-13(7-4-8-18-14)15(20)19(2)10-11-5-3-6-12(16)9-11/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62179082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).