N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C17H18N2O3 — CID 91815245

IUPACN-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(OC3CCOC3)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-4-14(9-12)19-17(20)13-5-7-18-16(10-13)22-15-6-8-21-11-15/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,19,20)
InChIKeyDGYLROIMMLLROS-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.81
Rot. Bonds4

About N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 91815245) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID91815245
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(OC3CCOC3)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-4-14(9-12)19-17(20)13-5-7-18-16(10-13)22-15-6-8-21-11-15/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,19,20)
InChIKeyDGYLROIMMLLROS-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617694
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 127842915
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
2,5-dimethyl-N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]furan-3-carboxamide
CID 97250434
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124615990
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 91815245) is N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(OC3CCOC3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is DGYLROIMMLLROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-3-2-4-14(9-12)19-17(20)13-5-7-18-16(10-13)22-15-6-8-21-11-15/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,19,20).
What are the key properties of N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 91815245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).