6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide

C16H22ClN3O2 — CID 59830624

IUPAC6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)nc1N1CCOCC1
InChIInChI=1S/C16H22ClN3O2/c17-14-7-6-13(15(19-14)20-8-10-22-11-9-20)16(21)18-12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,18,21)
InChIKeyFQSUAPOPUQWUPP-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.63
Rot. Bonds3

About 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide

6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 59830624) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID59830624
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)nc1N1CCOCC1
InChIInChI=1S/C16H22ClN3O2/c17-14-7-6-13(15(19-14)20-8-10-22-11-9-20)16(21)18-12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,18,21)
InChIKeyFQSUAPOPUQWUPP-UHFFFAOYSA-N
XLogP2.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094043
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 10385575
Rac-(6-(4-chlorophenylamino)pyridin-3-yl)(2-methylpiperidin-1-yl)methanone
CID 23725275
Rac-(6-(4-chlorophenylamino)pyridin-3-yl)(3-methylpiperidin-1-yl)methanone
CID 23725277
(R)-(5-chloro-6-(4-chlorophenylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725974
6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570122
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043313
(6-(4-Chlorophenylamino)pyridin-3-yl)(piperidin-1-yl)methanone
CID 1441201
7-chloro-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086888

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide (CID 59830624) is 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(Cl)nc1N1CCOCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is FQSUAPOPUQWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c17-14-7-6-13(15(19-14)20-8-10-22-11-9-20)16(21)18-12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,18,21).
What are the key properties of 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide?
6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 59830624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).