2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide

C15H15Cl2N3O — CID 133318903

IUPAC2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-18-15(21)13-4-3-5-19-14(13)20(2)9-10-6-11(16)8-12(17)7-10/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyJGQFWVCWAOBBKZ-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.38
Rot. Bonds4

About 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide

2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide (PubChem CID 133318903) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide
PubChem CID133318903
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-18-15(21)13-4-3-5-19-14(13)20(2)9-10-6-11(16)8-12(17)7-10/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyJGQFWVCWAOBBKZ-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
CID 103721743
N-methyl-2-[methyl(naphthalen-1-ylmethyl)amino]pyridine-3-carboxamide
CID 133318528
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide
CID 133321428
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 60977524
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56753833
N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide
CID 173273866
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide (CID 133318903) is 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is JGQFWVCWAOBBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-18-15(21)13-4-3-5-19-14(13)20(2)9-10-6-11(16)8-12(17)7-10/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133318903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).