N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide

C15H22N2O3 — CID 110125986

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1O
InChIInChI=1S/C15H22N2O3/c1-10-7-11(9-16-8-10)15(19)17-12-5-3-4-6-13(20-2)14(12)18/h7-9,12-14,18H,3-6H2,1-2H3,(H,17,19)/t12-,13-,14-/m1/s1
InChIKeyZZUPVXSKECJINC-MGPQQGTHSA-N
MW278.35 g/mol
LogP1.44
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide (PubChem CID 110125986) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
PubChem CID110125986
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1O
InChIInChI=1S/C15H22N2O3/c1-10-7-11(9-16-8-10)15(19)17-12-5-3-4-6-13(20-2)14(12)18/h7-9,12-14,18H,3-6H2,1-2H3,(H,17,19)/t12-,13-,14-/m1/s1
InChIKeyZZUPVXSKECJINC-MGPQQGTHSA-N
XLogP1.44
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
CID 110125585
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[(1R,2R)-2-aminocyclobutyl]-5-methylpyridine-3-carboxamide
CID 175896521
5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 62086672
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 110125559
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110125194
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide
CID 110125976
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
N-(2-methoxycyclopentyl)-3-methyl-5-sulfamoylbenzamide
CID 65388634

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide (CID 110125986) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide is CO[C@@H]1CCCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide?
The InChIKey is ZZUPVXSKECJINC-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-7-11(9-16-8-10)15(19)17-12-5-3-4-6-13(20-2)14(12)18/h7-9,12-14,18H,3-6H2,1-2H3,(H,17,19)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 110125986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).