N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide

C18H27N3O3 — CID 134349860

IUPACN-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cccnc1)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H27N3O3/c1-2-15(21-17(23)14-9-6-10-19-12-14)16(22)18(24)20-11-13-7-4-3-5-8-13/h6,9-10,12-13,15-16,22H,2-5,7-8,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyKJZKERBCRKFESZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.65
Rot. Bonds7

About N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide

N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide (PubChem CID 134349860) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide
PubChem CID134349860
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cccnc1)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H27N3O3/c1-2-15(21-17(23)14-9-6-10-19-12-14)16(22)18(24)20-11-13-7-4-3-5-8-13/h6,9-10,12-13,15-16,22H,2-5,7-8,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyKJZKERBCRKFESZ-UHFFFAOYSA-N
XLogP1.65
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 30785525
N-[(2S,3R,4R)-5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-3-carboxamide
CID 70044027
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
CID 141444032
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
CID 134349733
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide (CID 134349860) is N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide is CCC(NC(=O)c1cccnc1)C(O)C(=O)NCC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide?
The InChIKey is KJZKERBCRKFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-15(21-17(23)14-9-6-10-19-12-14)16(22)18(24)20-11-13-7-4-3-5-8-13/h6,9-10,12-13,15-16,22H,2-5,7-8,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide?
N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134349860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).