(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide

C11H12N4O2 — CID 97204217

IUPAC(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide
SMILESN#C[C@@H]1CN(C(=O)Nc2cccnc2)CCO1
InChIInChI=1S/C11H12N4O2/c12-6-10-8-15(4-5-17-10)11(16)14-9-2-1-3-13-7-9/h1-3,7,10H,4-5,8H2,(H,14,16)/t10-/m1/s1
InChIKeyTZKVEFFAWHHALO-SNVBAGLBSA-N
MW232.24 g/mol
LogP0.84
Rot. Bonds1

About (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide

(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide (PubChem CID 97204217) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide
PubChem CID97204217
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide
SMILESN#C[C@@H]1CN(C(=O)Nc2cccnc2)CCO1
InChIInChI=1S/C11H12N4O2/c12-6-10-8-15(4-5-17-10)11(16)14-9-2-1-3-13-7-9/h1-3,7,10H,4-5,8H2,(H,14,16)/t10-/m1/s1
InChIKeyTZKVEFFAWHHALO-SNVBAGLBSA-N
XLogP0.84
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
2-cyano-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 78946196
4-(4-hydrazinylpyridine-3-carbonyl)morpholine-2-carbonitrile
CID 81249144
2-cyano-N-phenylmorpholine-4-carbothioamide
CID 115616233
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
4-(2-cyanomorpholin-4-yl)pyridine-3-carboxylic acid
CID 81244232
4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 104641747
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide (CID 97204217) is (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide is N#C[C@@H]1CN(C(=O)Nc2cccnc2)CCO1.
What is the InChIKey of (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide?
The InChIKey is TZKVEFFAWHHALO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-10-8-15(4-5-17-10)11(16)14-9-2-1-3-13-7-9/h1-3,7,10H,4-5,8H2,(H,14,16)/t10-/m1/s1.
What are the key properties of (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide?
(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97204217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).