N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide

C15H22N2O3 — CID 99834377

IUPACN-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
SMILESCCO[C@@H]1C[C@](O)(CNC(=O)c2ccncc2)C1(C)C
InChIInChI=1S/C15H22N2O3/c1-4-20-12-9-15(19,14(12,2)3)10-17-13(18)11-5-7-16-8-6-11/h5-8,12,19H,4,9-10H2,1-3H3,(H,17,18)/t12-,15+/m1/s1
InChIKeyDBRYENMFTIOKSN-DOMZBBRYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds5

About N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide

N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide (PubChem CID 99834377) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
PubChem CID99834377
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
SMILESCCO[C@@H]1C[C@](O)(CNC(=O)c2ccncc2)C1(C)C
InChIInChI=1S/C15H22N2O3/c1-4-20-12-9-15(19,14(12,2)3)10-17-13(18)11-5-7-16-8-6-11/h5-8,12,19H,4,9-10H2,1-3H3,(H,17,18)/t12-,15+/m1/s1
InChIKeyDBRYENMFTIOKSN-DOMZBBRYSA-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

Analyze N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide
CID 129401810
N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide
CID 91662550
1-[[(3-chloro-4-pyridinyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 166205556
3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid
CID 122018402
N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 136535403
(E)-N-[[(1R,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-3-(5-methyl-3-pyridinyl)prop-2-enamide
CID 129401802
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide
CID 146090058
3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 91652073
3-ethoxy-2,2-dimethyl-1-[(4-pyridin-3-yloxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 120700571
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
CID 99826458
3-ethoxy-1-[(4-ethoxybenzoyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699262
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide (CID 99834377) is N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide is CCO[C@@H]1C[C@](O)(CNC(=O)c2ccncc2)C1(C)C.
What is the InChIKey of N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide?
The InChIKey is DBRYENMFTIOKSN-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-12-9-15(19,14(12,2)3)10-17-13(18)11-5-7-16-8-6-11/h5-8,12,19H,4,9-10H2,1-3H3,(H,17,18)/t12-,15+/m1/s1.
What are the key properties of N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide?
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-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-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 99834377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).