N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide

C18H27N3O2 — CID 51925941

IUPACN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-13-5-3-7-16(14(13)2)20-18(22)15-6-4-8-19-17(15)21-9-11-23-12-10-21/h4,6,8,13-14,16H,3,5,7,9-12H2,1-2H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeySDHGMDJVWKOJCA-FMKPAKJESA-N
MW317.43 g/mol
LogP2.47
Rot. Bonds3

About N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 51925941) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID51925941
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cccnc1N1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-13-5-3-7-16(14(13)2)20-18(22)15-6-4-8-19-17(15)21-9-11-23-12-10-21/h4,6,8,13-14,16H,3,5,7,9-12H2,1-2H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeySDHGMDJVWKOJCA-FMKPAKJESA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120554046
N-[2-(aminomethyl)cyclopentyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119602673
N-(2-methylpiperidin-3-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120577474
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 84577108
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-(2,3-dimethylcyclohexyl)-8-hydroxyquinoline-7-carboxamide
CID 18372471
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
N-(2,3-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 42943300
N-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 124732893
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55906780
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
2-amino-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 53334696

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 51925941) is N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cccnc1N1CCOCC1.
What is the InChIKey of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is SDHGMDJVWKOJCA-FMKPAKJESA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-5-3-7-16(14(13)2)20-18(22)15-6-4-8-19-17(15)21-9-11-23-12-10-21/h4,6,8,13-14,16H,3,5,7,9-12H2,1-2H3,(H,20,22)/t13-,14-,16+/m1/s1.
What are the key properties of N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 51925941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).