N-pyridin-4-ylazetidine-2-carboxamide

C9H11N3O — CID 130908968

IUPACN-pyridin-4-ylazetidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN1
InChIInChI=1S/C9H11N3O/c13-9(8-3-6-11-8)12-7-1-4-10-5-2-7/h1-2,4-5,8,11H,3,6H2,(H,10,12,13)
InChIKeyOEQHUFUPKSRHLZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.38
Rot. Bonds2

About N-pyridin-4-ylazetidine-2-carboxamide

N-pyridin-4-ylazetidine-2-carboxamide (PubChem CID 130908968) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-pyridin-4-ylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-ylazetidine-2-carboxamide
PubChem CID130908968
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-pyridin-4-ylazetidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN1
InChIInChI=1S/C9H11N3O/c13-9(8-3-6-11-8)12-7-1-4-10-5-2-7/h1-2,4-5,8,11H,3,6H2,(H,10,12,13)
InChIKeyOEQHUFUPKSRHLZ-UHFFFAOYSA-N
XLogP0.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 3137671
N-pyridin-4-yloxetane-2-carboxamide
CID 130979378
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylazetidine-2-carboxamide?
The IUPAC name of N-pyridin-4-ylazetidine-2-carboxamide (CID 130908968) is N-pyridin-4-ylazetidine-2-carboxamide.
What is the SMILES notation for N-pyridin-4-ylazetidine-2-carboxamide?
The canonical SMILES for N-pyridin-4-ylazetidine-2-carboxamide is O=C(Nc1ccncc1)C1CCN1.
What is the InChIKey of N-pyridin-4-ylazetidine-2-carboxamide?
The InChIKey is OEQHUFUPKSRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-9(8-3-6-11-8)12-7-1-4-10-5-2-7/h1-2,4-5,8,11H,3,6H2,(H,10,12,13).
What are the key properties of N-pyridin-4-ylazetidine-2-carboxamide?
N-pyridin-4-ylazetidine-2-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylazetidine-2-carboxamide is sourced from PubChem (CID 130908968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).