1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide

C13H14N4O — CID 171326516

IUPAC1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
SMILESN#Cc1ncccc1N1CC(C(=O)NC2CC2)C1
InChIInChI=1S/C13H14N4O/c14-6-11-12(2-1-5-15-11)17-7-9(8-17)13(18)16-10-3-4-10/h1-2,5,9-10H,3-4,7-8H2,(H,16,18)
InChIKeyTUGYDURKSMHIQD-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.67
Rot. Bonds3

About 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide

1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide (PubChem CID 171326516) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
PubChem CID171326516
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
SMILESN#Cc1ncccc1N1CC(C(=O)NC2CC2)C1
InChIInChI=1S/C13H14N4O/c14-6-11-12(2-1-5-15-11)17-7-9(8-17)13(18)16-10-3-4-10/h1-2,5,9-10H,3-4,7-8H2,(H,16,18)
InChIKeyTUGYDURKSMHIQD-UHFFFAOYSA-N
XLogP0.67
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 155974197
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171327976
3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 167864495
(2S)-2-[[(3S)-1-(2-cyano-3-pyridinyl)pyrrolidin-3-yl]amino]-3-thiophen-2-ylpropanamide;hydrochloride
CID 67060418
4-(3-cyanopyrazin-2-yl)-N-cyclopropylmorpholine-2-carboxamide
CID 155942303
(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 125444340
3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168703966
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
3-[(3R)-4-(adamantane-1-carbonyl)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 71680760
1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318434

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
The IUPAC name of 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide (CID 171326516) is 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
The canonical SMILES for 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide is N#Cc1ncccc1N1CC(C(=O)NC2CC2)C1.
What is the InChIKey of 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
The InChIKey is TUGYDURKSMHIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-6-11-12(2-1-5-15-11)17-7-9(8-17)13(18)16-10-3-4-10/h1-2,5,9-10H,3-4,7-8H2,(H,16,18).
What are the key properties of 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide?
1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide is sourced from PubChem (CID 171326516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).