N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide

C15H22N2O3 — CID 110125869

IUPACN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(C(=O)Cc1cccnc1)[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-17(12-6-2-3-7-13(18)15(12)20)14(19)9-11-5-4-8-16-10-11/h4-5,8,10,12-13,15,18,20H,2-3,6-7,9H2,1H3/t12-,13-,15-/m1/s1
InChIKeyWYXZLTPVTSMNCU-UMVBOHGHSA-N
MW278.35 g/mol
LogP0.75
Rot. Bonds3

About N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide (PubChem CID 110125869) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide
PubChem CID110125869
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(C(=O)Cc1cccnc1)[C@@H]1CCCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-17(12-6-2-3-7-13(18)15(12)20)14(19)9-11-5-4-8-16-10-11/h4-5,8,10,12-13,15,18,20H,2-3,6-7,9H2,1H3/t12-,13-,15-/m1/s1
InChIKeyWYXZLTPVTSMNCU-UMVBOHGHSA-N
XLogP0.75
TPSA73.66 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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-3-ylacetamide
CID 62691246
N-(4-hydroxycyclohexyl)-N-methyl-2-pyridin-3-ylacetamide
CID 115277422
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
N-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylacetamide
CID 79715380
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 110125877
N-(4-hydroxycyclohexyl)-N-methyl-3-pyridin-3-ylpropanamide
CID 115277440
N-ethyl-N-iodo-2-pyridin-3-ylacetamide
CID 143532975
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
3-ethoxy-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 126798729
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide (CID 110125869) is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide is CN(C(=O)Cc1cccnc1)[C@@H]1CCCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide?
The InChIKey is WYXZLTPVTSMNCU-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(12-6-2-3-7-13(18)15(12)20)14(19)9-11-5-4-8-16-10-11/h4-5,8,10,12-13,15,18,20H,2-3,6-7,9H2,1H3/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide?
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide has a molecular weight of 278.35 g/mol, XLogP of 0.75, 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)-2,3-dihydroxycycloheptyl]-N-methyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 110125869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).