4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide

C11H15ClN2O2 — CID 115283582

IUPAC4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CCO)cn1
InChIInChI=1S/C11H15ClN2O2/c1-7(3-4-15)14-11(16)9-6-13-8(2)5-10(9)12/h5-7,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyIJUXCSLFTIGQJG-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.54
Rot. Bonds4

About 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide

4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 115283582) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID115283582
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CCO)cn1
InChIInChI=1S/C11H15ClN2O2/c1-7(3-4-15)14-11(16)9-6-13-8(2)5-10(9)12/h5-7,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyIJUXCSLFTIGQJG-UHFFFAOYSA-N
XLogP1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 82944808
4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 113461638
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
(2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114036564
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 106164845
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide (CID 115283582) is 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC(C)CCO)cn1.
What is the InChIKey of 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is IJUXCSLFTIGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(3-4-15)14-11(16)9-6-13-8(2)5-10(9)12/h5-7,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 115283582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).