4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide

C14H15ClN4O2 — CID 83104855

IUPAC4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESN#Cc1cc(Cl)nc(N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C14H15ClN4O2/c15-12-5-9(7-16)6-13(18-12)19-3-4-21-8-11(19)14(20)17-10-1-2-10/h5-6,10-11H,1-4,8H2,(H,17,20)
InChIKeyKGDJUUKUPIJRQT-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.09
Rot. Bonds3

About 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide

4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83104855) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83104855
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESN#Cc1cc(Cl)nc(N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C14H15ClN4O2/c15-12-5-9(7-16)6-13(18-12)19-3-4-21-8-11(19)14(20)17-10-1-2-10/h5-6,10-11H,1-4,8H2,(H,17,20)
InChIKeyKGDJUUKUPIJRQT-UHFFFAOYSA-N
XLogP1.09
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103920
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794
4-(4-amino-5-methyl-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83265563
N-cyclopropyl-4-(6-hydrazinylpyrazin-2-yl)morpholine-3-carboxamide
CID 83105115
N-cyclopropyl-4-[4-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102212
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-chloropyridine-4-carbonitrile
CID 83076239
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide (CID 83104855) is 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide is N#Cc1cc(Cl)nc(N2CCOCC2C(=O)NC2CC2)c1.
What is the InChIKey of 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is KGDJUUKUPIJRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-12-5-9(7-16)6-13(18-12)19-3-4-21-8-11(19)14(20)17-10-1-2-10/h5-6,10-11H,1-4,8H2,(H,17,20).
What are the key properties of 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83104855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).