2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide

C16H18ClN3O — CID 91649796

IUPAC2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1CNc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C16H18ClN3O/c1-11-8-14(17)5-4-13(11)10-19-15-9-12(6-7-18-15)16(21)20(2)3/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyYEKOYEZSPVSMEY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.36
Rot. Bonds4

About 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide

2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide (PubChem CID 91649796) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide
PubChem CID91649796
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1CNc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C16H18ClN3O/c1-11-8-14(17)5-4-13(11)10-19-15-9-12(6-7-18-15)16(21)20(2)3/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyYEKOYEZSPVSMEY-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898
2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
CID 109170952
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
2-hydrazinyl-N,N-dimethylpyridine-4-carboxamide
CID 62236400
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide
CID 86801659
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide
CID 86801668

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide (CID 91649796) is 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide is Cc1cc(Cl)ccc1CNc1cc(C(=O)N(C)C)ccn1.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
The InChIKey is YEKOYEZSPVSMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-8-14(17)5-4-13(11)10-19-15-9-12(6-7-18-15)16(21)20(2)3/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 91649796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).