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

C21H20N2O — CID 26177693

IUPACN-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2ccncc2)c2ccccc2)cc1C
InChIInChI=1S/C21H20N2O/c1-15-8-9-19(14-16(15)2)20(17-6-4-3-5-7-17)23-21(24)18-10-12-22-13-11-18/h3-14,20H,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyBRVZMYZOOVYYLR-FQEVSTJZSA-N
MW316.40 g/mol
LogP4.22
Rot. Bonds4

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

N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide (PubChem CID 26177693) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
PubChem CID26177693
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2ccncc2)c2ccccc2)cc1C
InChIInChI=1S/C21H20N2O/c1-15-8-9-19(14-16(15)2)20(17-6-4-3-5-7-17)23-21(24)18-10-12-22-13-11-18/h3-14,20H,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyBRVZMYZOOVYYLR-FQEVSTJZSA-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

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Related Compounds

N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136793202
N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide
CID 110322061
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 51585948
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
CID 43011406

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide (CID 26177693) is N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide is Cc1ccc([C@@H](NC(=O)c2ccncc2)c2ccccc2)cc1C.
What is the InChIKey of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide?
The InChIKey is BRVZMYZOOVYYLR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-8-9-19(14-16(15)2)20(17-6-4-3-5-7-17)23-21(24)18-10-12-22-13-11-18/h3-14,20H,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide?
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-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-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 26177693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).