4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide

C13H17ClN2O2 — CID 102861506

IUPAC4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESO=C(c1cc(Cl)ccn1)N(CCCO)C1CCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-5-6-15-12(9-10)13(18)16(7-2-8-17)11-3-1-4-11/h5-6,9,11,17H,1-4,7-8H2
InChIKeyZXUZJAFXKIXVSC-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.11
Rot. Bonds5

About 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide

4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide (PubChem CID 102861506) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
PubChem CID102861506
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESO=C(c1cc(Cl)ccn1)N(CCCO)C1CCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-5-6-15-12(9-10)13(18)16(7-2-8-17)11-3-1-4-11/h5-6,9,11,17H,1-4,7-8H2
InChIKeyZXUZJAFXKIXVSC-UHFFFAOYSA-N
XLogP2.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
N-cyclobutyl-N-(3-hydroxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 102870330
N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102862752
N-cyclobutyl-4-hydrazinyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 102870612
N-cyclobutyl-5-cyclopropyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 102867000
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62186526
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
CID 60737654
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544
2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 102870310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide (CID 102861506) is 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide is O=C(c1cc(Cl)ccn1)N(CCCO)C1CCC1.
What is the InChIKey of 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The InChIKey is ZXUZJAFXKIXVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-5-6-15-12(9-10)13(18)16(7-2-8-17)11-3-1-4-11/h5-6,9,11,17H,1-4,7-8H2.
What are the key properties of 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 102861506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).