N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide

C17H21N3O — CID 75446631

IUPACN-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2C)c(CN(C)C)c1
InChIInChI=1S/C17H21N3O/c1-12-7-8-16(14(10-12)11-20(3)4)19-17(21)15-6-5-9-18-13(15)2/h5-10H,11H2,1-4H3,(H,19,21)
InChIKeyLILBWZUSIVLJKW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.01
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide

N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide (PubChem CID 75446631) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide
PubChem CID75446631
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2C)c(CN(C)C)c1
InChIInChI=1S/C17H21N3O/c1-12-7-8-16(14(10-12)11-20(3)4)19-17(21)15-6-5-9-18-13(15)2/h5-10H,11H2,1-4H3,(H,19,21)
InChIKeyLILBWZUSIVLJKW-UHFFFAOYSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
4-chloro-N-[2-[(dimethylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 81227997
2-(ethylamino)-N-(2-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 62185386
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
CID 103754685
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide (CID 75446631) is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2C)c(CN(C)C)c1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is LILBWZUSIVLJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-8-16(14(10-12)11-20(3)4)19-17(21)15-6-5-9-18-13(15)2/h5-10H,11H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide?
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 75446631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).