N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide

C18H22ClN3O — CID 109156786

IUPACN-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-4-11-22(2)18(23)15-9-10-17(21-13-15)20-12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyCDYFJNLMCMLYNX-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.22
Rot. Bonds7

About N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide

N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide (PubChem CID 109156786) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
PubChem CID109156786
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-4-11-22(2)18(23)15-9-10-17(21-13-15)20-12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyCDYFJNLMCMLYNX-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
CID 109161592
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
N-[3-(dimethylamino)propyl]-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 55226022
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257493
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109156789

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide (CID 109156786) is N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(NCc2ccccc2Cl)nc1.
What is the InChIKey of N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is CDYFJNLMCMLYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-4-11-22(2)18(23)15-9-10-17(21-13-15)20-12-14-7-5-6-8-16(14)19/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide?
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109156786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).