N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide

C17H18N2O2 — CID 110683568

IUPACN-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C17H18N2O2/c20-17(19-12-15-7-4-10-21-15)16-9-8-14(11-18-16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,19,20)
InChIKeyCCBGSKPPKKPLQG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.66
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide

N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide (PubChem CID 110683568) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
PubChem CID110683568
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C17H18N2O2/c20-17(19-12-15-7-4-10-21-15)16-9-8-14(11-18-16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,19,20)
InChIKeyCCBGSKPPKKPLQG-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273323
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide (CID 110683568) is N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide?
The InChIKey is CCBGSKPPKKPLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(19-12-15-7-4-10-21-15)16-9-8-14(11-18-16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,19,20).
What are the key properties of N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide?
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide is sourced from PubChem (CID 110683568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).