N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide

C15H22N2O3 — CID 99826637

IUPACN-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
SMILESCCO[C@H]1C[C@](CO)(NC(=O)c2ccccn2)C1(C)C
InChIInChI=1S/C15H22N2O3/c1-4-20-12-9-15(10-18,14(12,2)3)17-13(19)11-7-5-6-8-16-11/h5-8,12,18H,4,9-10H2,1-3H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyQCBTXZJQBXUGPR-SWLSCSKDSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds5

About N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide

N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide (PubChem CID 99826637) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
PubChem CID99826637
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
SMILESCCO[C@H]1C[C@](CO)(NC(=O)c2ccccn2)C1(C)C
InChIInChI=1S/C15H22N2O3/c1-4-20-12-9-15(10-18,14(12,2)3)17-13(19)11-7-5-6-8-16-11/h5-8,12,18H,4,9-10H2,1-3H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyQCBTXZJQBXUGPR-SWLSCSKDSA-N
XLogP1.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
CID 136534169
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
CID 99826458
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119034487
N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
CID 99826689
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
CID 99826692
N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide
CID 99826548
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119034483
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2,5-difluorobenzamide
CID 99826642
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(1,3-thiazole-4-carbonylamino)cyclobutane-1-carboxylic acid
CID 129402613
N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 175814951
3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120700463
3-ethoxy-2,2-dimethyl-1-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120699864

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide (CID 99826637) is N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide is CCO[C@H]1C[C@](CO)(NC(=O)c2ccccn2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
The InChIKey is QCBTXZJQBXUGPR-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-12-9-15(10-18,14(12,2)3)17-13(19)11-7-5-6-8-16-11/h5-8,12,18H,4,9-10H2,1-3H3,(H,17,19)/t12-,15+/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 99826637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).