3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide

C12H17ClN2O2 — CID 97340426

IUPAC3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
SMILESCC[C@@](C)(CCO)NC(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-3-12(2,5-7-16)15-11(17)9-4-6-14-8-10(9)13/h4,6,8,16H,3,5,7H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeySIGAFZGPKQDICQ-LBPRGKRZSA-N
MW256.73 g/mol
LogP2.02
Rot. Bonds5

About 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide

3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide (PubChem CID 97340426) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
PubChem CID97340426
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
SMILESCC[C@@](C)(CCO)NC(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-3-12(2,5-7-16)15-11(17)9-4-6-14-8-10(9)13/h4,6,8,16H,3,5,7H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeySIGAFZGPKQDICQ-LBPRGKRZSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
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CID 103875358
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
1-chloro-N-(1-hydroxy-3-methylpentan-3-yl)isoquinoline-4-carboxamide
CID 106834452
3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
CID 122559790
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
N-(1-amino-3-methylpentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 106164489
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide (CID 97340426) is 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide is CC[C@@](C)(CCO)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide?
The InChIKey is SIGAFZGPKQDICQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-12(2,5-7-16)15-11(17)9-4-6-14-8-10(9)13/h4,6,8,16H,3,5,7H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide?
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97340426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).