N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide

C18H19N3O3 — CID 4922681

IUPACN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1cccnc1
InChIInChI=1S/C18H19N3O3/c22-17(13-5-3-9-19-11-13)21-16-8-2-1-7-15(16)18(23)20-12-14-6-4-10-24-14/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,23)(H,21,22)
InChIKeyAVJNCBYUJCLBSH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide

N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 4922681) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID4922681
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1cccnc1
InChIInChI=1S/C18H19N3O3/c22-17(13-5-3-9-19-11-13)21-16-8-2-1-7-15(16)18(23)20-12-14-6-4-10-24-14/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,23)(H,21,22)
InChIKeyAVJNCBYUJCLBSH-UHFFFAOYSA-N
XLogP2.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100672
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 4922681) is N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1cccnc1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is AVJNCBYUJCLBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(13-5-3-9-19-11-13)21-16-8-2-1-7-15(16)18(23)20-12-14-6-4-10-24-14/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4922681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).