4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide

C16H18ClN3O — CID 81227997

IUPAC4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccccc2CN(C)C)cn1
InChIInChI=1S/C16H18ClN3O/c1-11-8-14(17)13(9-18-11)16(21)19-15-7-5-4-6-12(15)10-20(2)3/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyZWINEIZXEYNCOE-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.36
Rot. Bonds4

About 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide

4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 81227997) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
PubChem CID81227997
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2ccccc2CN(C)C)cn1
InChIInChI=1S/C16H18ClN3O/c1-11-8-14(17)13(9-18-11)16(21)19-15-7-5-4-6-12(15)10-20(2)3/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyZWINEIZXEYNCOE-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

4-chloro-6-methyl-N-(2-propylphenyl)pyridine-3-carboxamide
CID 81226564
4-chloro-N-[2-(ethoxymethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 81227998
4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 114331675
N-(2-ethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236414
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626
4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 81230952
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide (CID 81227997) is 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2ccccc2CN(C)C)cn1.
What is the InChIKey of 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ZWINEIZXEYNCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-8-14(17)13(9-18-11)16(21)19-15-7-5-4-6-12(15)10-20(2)3/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-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 4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81227997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).