N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide

C20H18N2O — CID 51151137

IUPACN-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-9-11-17(12-10-15)19(16-6-3-2-4-7-16)22-20(23)18-8-5-13-21-14-18/h2-14,19H,1H3,(H,22,23)
InChIKeyPLXBNQUMHVCNFQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.91
Rot. Bonds4

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

N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide (PubChem CID 51151137) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
PubChem CID51151137
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-9-11-17(12-10-15)19(16-6-3-2-4-7-16)22-20(23)18-8-5-13-21-14-18/h2-14,19H,1H3,(H,22,23)
InChIKeyPLXBNQUMHVCNFQ-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204
2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 92500199
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide (CID 51151137) is N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2cccnc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is PLXBNQUMHVCNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-9-11-17(12-10-15)19(16-6-3-2-4-7-16)22-20(23)18-8-5-13-21-14-18/h2-14,19H,1H3,(H,22,23).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 51151137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).