N-pyridin-4-yloxetane-2-carboxamide

C9H10N2O2 — CID 130979378

IUPACN-pyridin-4-yloxetane-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCO1
InChIInChI=1S/C9H10N2O2/c12-9(8-3-6-13-8)11-7-1-4-10-5-2-7/h1-2,4-5,8H,3,6H2,(H,10,11,12)
InChIKeyRFMBLGDYEJFUHH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.81
Rot. Bonds2

About N-pyridin-4-yloxetane-2-carboxamide

N-pyridin-4-yloxetane-2-carboxamide (PubChem CID 130979378) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-pyridin-4-yloxetane-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yloxetane-2-carboxamide
PubChem CID130979378
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-pyridin-4-yloxetane-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCO1
InChIInChI=1S/C9H10N2O2/c12-9(8-3-6-13-8)11-7-1-4-10-5-2-7/h1-2,4-5,8H,3,6H2,(H,10,11,12)
InChIKeyRFMBLGDYEJFUHH-UHFFFAOYSA-N
XLogP0.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
N-pyridin-4-ylazetidine-2-carboxamide
CID 130908968
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yloxetane-2-carboxamide?
The IUPAC name of N-pyridin-4-yloxetane-2-carboxamide (CID 130979378) is N-pyridin-4-yloxetane-2-carboxamide.
What is the SMILES notation for N-pyridin-4-yloxetane-2-carboxamide?
The canonical SMILES for N-pyridin-4-yloxetane-2-carboxamide is O=C(Nc1ccncc1)C1CCO1.
What is the InChIKey of N-pyridin-4-yloxetane-2-carboxamide?
The InChIKey is RFMBLGDYEJFUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(8-3-6-13-8)11-7-1-4-10-5-2-7/h1-2,4-5,8H,3,6H2,(H,10,11,12).
What are the key properties of N-pyridin-4-yloxetane-2-carboxamide?
N-pyridin-4-yloxetane-2-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yloxetane-2-carboxamide is sourced from PubChem (CID 130979378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).