N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide

C20H18N2O2 — CID 23130542

IUPACN-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C20H18N2O2/c23-20(18-7-4-12-21-14-18)22-13-16-8-10-19(11-9-16)24-15-17-5-2-1-3-6-17/h1-12,14H,13,15H2,(H,22,23)
InChIKeyULWOVCCTHKRPNZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.59
Rot. Bonds6

About N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide

N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 23130542) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID23130542
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C20H18N2O2/c23-20(18-7-4-12-21-14-18)22-13-16-8-10-19(11-9-16)24-15-17-5-2-1-3-6-17/h1-12,14H,13,15H2,(H,22,23)
InChIKeyULWOVCCTHKRPNZ-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
CID 113062582
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756
N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 55707958

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide (CID 23130542) is N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(OCc2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ULWOVCCTHKRPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(18-7-4-12-21-14-18)22-13-16-8-10-19(11-9-16)24-15-17-5-2-1-3-6-17/h1-12,14H,13,15H2,(H,22,23).
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide?
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 23130542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).