4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide

C14H16N4O2 — CID 155942289

IUPAC4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
SMILESN#Cc1ccc(N2CCOC(C(=O)NC3CC3)C2)nc1
InChIInChI=1S/C14H16N4O2/c15-7-10-1-4-13(16-8-10)18-5-6-20-12(9-18)14(19)17-11-2-3-11/h1,4,8,11-12H,2-3,5-6,9H2,(H,17,19)
InChIKeyLLUXDISVQFDGIH-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.44
Rot. Bonds3

About 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide

4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 155942289) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
PubChem CID155942289
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
SMILESN#Cc1ccc(N2CCOC(C(=O)NC3CC3)C2)nc1
InChIInChI=1S/C14H16N4O2/c15-7-10-1-4-13(16-8-10)18-5-6-20-12(9-18)14(19)17-11-2-3-11/h1,4,8,11-12H,2-3,5-6,9H2,(H,17,19)
InChIKeyLLUXDISVQFDGIH-UHFFFAOYSA-N
XLogP0.44
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide (CID 155942289) is 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide is N#Cc1ccc(N2CCOC(C(=O)NC3CC3)C2)nc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is LLUXDISVQFDGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-7-10-1-4-13(16-8-10)18-5-6-20-12(9-18)14(19)17-11-2-3-11/h1,4,8,11-12H,2-3,5-6,9H2,(H,17,19).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide?
4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 155942289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).