N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide

C21H20N2O — CID 43010004

IUPACN-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccnc2)c2ccccc2)cc1C
InChIInChI=1S/C21H20N2O/c1-15-10-11-18(13-16(15)2)20(17-7-4-3-5-8-17)23-21(24)19-9-6-12-22-14-19/h3-14,20H,1-2H3,(H,23,24)
InChIKeyLHKOSUUXRMHUCF-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.22
Rot. Bonds4

About N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide

N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide (PubChem CID 43010004) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
PubChem CID43010004
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccnc2)c2ccccc2)cc1C
InChIInChI=1S/C21H20N2O/c1-15-10-11-18(13-16(15)2)20(17-7-4-3-5-8-17)23-21(24)19-9-6-12-22-14-19/h3-14,20H,1-2H3,(H,23,24)
InChIKeyLHKOSUUXRMHUCF-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-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-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide (CID 43010004) is N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2cccnc2)c2ccccc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is LHKOSUUXRMHUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-10-11-18(13-16(15)2)20(17-7-4-3-5-8-17)23-21(24)19-9-6-12-22-14-19/h3-14,20H,1-2H3,(H,23,24).
What are the key properties of N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide?
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 43010004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).