N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide

C20H18N2O — CID 92500168

IUPACN-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-9-11-16(12-10-15)19(18-8-5-13-21-14-18)22-20(23)17-6-3-2-4-7-17/h2-14,19H,1H3,(H,22,23)/t19-/m0/s1
InChIKeyXSYRUCUQQGKEPC-IBGZPJMESA-N
MW302.38 g/mol
LogP3.91
Rot. Bonds4

About N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide

N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide (PubChem CID 92500168) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide.

Molecular Properties

Compound NameN-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
PubChem CID92500168
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-9-11-16(12-10-15)19(18-8-5-13-21-14-18)22-20(23)17-6-3-2-4-7-17/h2-14,19H,1H3,(H,22,23)/t19-/m0/s1
InChIKeyXSYRUCUQQGKEPC-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-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 92500199
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The IUPAC name of N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide (CID 92500168) is N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide.
What is the SMILES notation for N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The canonical SMILES for N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide is Cc1ccc([C@H](NC(=O)c2ccccc2)c2cccnc2)cc1.
What is the InChIKey of N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
The InChIKey is XSYRUCUQQGKEPC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-9-11-16(12-10-15)19(18-8-5-13-21-14-18)22-20(23)17-6-3-2-4-7-17/h2-14,19H,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide?
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide 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)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide is sourced from PubChem (CID 92500168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).