N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide

C20H18N2O — CID 100628969

IUPACN-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-8-5-6-12-18(15)19(16-9-3-2-4-10-16)22-20(23)17-11-7-13-21-14-17/h2-14,19H,1H3,(H,22,23)/t19-/m0/s1
InChIKeyLCGZDTQXCDFOKC-IBGZPJMESA-N
MW302.38 g/mol
LogP3.91
Rot. Bonds4

About N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide

N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide (PubChem CID 100628969) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
PubChem CID100628969
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccccc1[C@@H](NC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-8-5-6-12-18(15)19(16-9-3-2-4-10-16)22-20(23)17-11-7-13-21-14-17/h2-14,19H,1H3,(H,22,23)/t19-/m0/s1
InChIKeyLCGZDTQXCDFOKC-IBGZPJMESA-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-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
1-[(2-methylphenyl)-phenylmethyl]-3-pyridin-3-ylthiourea
CID 133215757
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444
N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide (CID 100628969) is N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide is Cc1ccccc1[C@@H](NC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is LCGZDTQXCDFOKC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-8-5-6-12-18(15)19(16-9-3-2-4-10-16)22-20(23)17-11-7-13-21-14-17/h2-14,19H,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide?
N-[(S)-(2-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-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 100628969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).