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

C15H21BrN2O3 — CID 136534169

IUPAC5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
SMILESCCOC1CC(CO)(NC(=O)c2ccc(Br)cn2)C1(C)C
InChIInChI=1S/C15H21BrN2O3/c1-4-21-12-7-15(9-19,14(12,2)3)18-13(20)11-6-5-10(16)8-17-11/h5-6,8,12,19H,4,7,9H2,1-3H3,(H,18,20)
InChIKeyVKXVHRXIUJILMV-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.14
Rot. Bonds5

About 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide

5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide (PubChem CID 136534169) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
PubChem CID136534169
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
SMILESCCOC1CC(CO)(NC(=O)c2ccc(Br)cn2)C1(C)C
InChIInChI=1S/C15H21BrN2O3/c1-4-21-12-7-15(9-19,14(12,2)3)18-13(20)11-6-5-10(16)8-17-11/h5-6,8,12,19H,4,7,9H2,1-3H3,(H,18,20)
InChIKeyVKXVHRXIUJILMV-UHFFFAOYSA-N
XLogP2.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
CID 99826637
3-ethoxy-1-[(5-fluoropyridine-2-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699717
N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methylthiophene-2-carboxamide
CID 99826548
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
CID 99826458
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
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
1-[(3-bromobenzoyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699444
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(1,3-thiazole-4-carbonylamino)cyclobutane-1-carboxylic acid
CID 129402613
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide (CID 136534169) is 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide is CCOC1CC(CO)(NC(=O)c2ccc(Br)cn2)C1(C)C.
What is the InChIKey of 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
The InChIKey is VKXVHRXIUJILMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-4-21-12-7-15(9-19,14(12,2)3)18-13(20)11-6-5-10(16)8-17-11/h5-6,8,12,19H,4,7,9H2,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide?
5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 136534169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).