3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide

C10H13ClN2O2 — CID 66481995

IUPAC3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccncc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-10(2,6-14)13-9(15)7-3-4-12-5-8(7)11/h3-5,14H,6H2,1-2H3,(H,13,15)
InChIKeyHJHRGHDVYJYWGU-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.24
Rot. Bonds3

About 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 66481995) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
PubChem CID66481995
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccncc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-10(2,6-14)13-9(15)7-3-4-12-5-8(7)11/h3-5,14H,6H2,1-2H3,(H,13,15)
InChIKeyHJHRGHDVYJYWGU-UHFFFAOYSA-N
XLogP1.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
CID 122559790
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66463794
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide (CID 66481995) is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide is CC(C)(CO)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is HJHRGHDVYJYWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,6-14)13-9(15)7-3-4-12-5-8(7)11/h3-5,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide?
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66481995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).