N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide

C18H23N3O — CID 71908023

IUPACN-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(CN(C)C)cc(NC(=O)c2ccc(C)nc2C)c1
InChIInChI=1S/C18H23N3O/c1-12-8-15(11-21(4)5)10-16(9-12)20-18(22)17-7-6-13(2)19-14(17)3/h6-10H,11H2,1-5H3,(H,20,22)
InChIKeyGHBBSRXMHUTAKF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.32
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide

N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 71908023) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID71908023
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(CN(C)C)cc(NC(=O)c2ccc(C)nc2C)c1
InChIInChI=1S/C18H23N3O/c1-12-8-15(11-21(4)5)10-16(9-12)20-18(22)17-7-6-13(2)19-14(17)3/h6-10H,11H2,1-5H3,(H,20,22)
InChIKeyGHBBSRXMHUTAKF-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
N-[[3-(bromomethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 114313153
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-[4-(3-aminoprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62828528
N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830929
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 76950265

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide (CID 71908023) is N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide is Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C)nc2C)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is GHBBSRXMHUTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-8-15(11-21(4)5)10-16(9-12)20-18(22)17-7-6-13(2)19-14(17)3/h6-10H,11H2,1-5H3,(H,20,22).
What are the key properties of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide?
N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 71908023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).