3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide

C10H13ClN2O — CID 155713883

IUPAC3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide
SMILESCC[C@H](C)c1c(Cl)ccnc1C(N)=O
InChIInChI=1S/C10H13ClN2O/c1-3-6(2)8-7(11)4-5-13-9(8)10(12)14/h4-6H,3H2,1-2H3,(H2,12,14)/t6-/m0/s1
InChIKeyFZFUZXIOVSOXDF-LURJTMIESA-N
MW212.68 g/mol
LogP2.35
Rot. Bonds3

About 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide

3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide (PubChem CID 155713883) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide
PubChem CID155713883
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide
SMILESCC[C@H](C)c1c(Cl)ccnc1C(N)=O
InChIInChI=1S/C10H13ClN2O/c1-3-6(2)8-7(11)4-5-13-9(8)10(12)14/h4-6H,3H2,1-2H3,(H2,12,14)/t6-/m0/s1
InChIKeyFZFUZXIOVSOXDF-LURJTMIESA-N
XLogP2.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-ylpyridine-2,3-dicarboxamide
CID 67796914
3-butan-2-yl-4-chloropyridazine
CID 90749430
5-butan-2-yl-2-chlorobenzamide
CID 129129656
4-propan-2-ylpyridine-2,3-dicarboxamide
CID 67794907
3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
CID 175064916
3,4-dichloro-N-ethylpyridine-2-carboxamide
CID 123182063
tetraazanium;3,4-dichloropyridine-2-carboxylate;tris(propan-2-olate)
CID 141226977
3-propylpyridine-2,4-dicarboxamide
CID 141047751
ethyl 4-chloro-2-propan-2-ylpyridine-3-carboxylate
CID 59589379
4-butan-2-yl-1-methylpyrazole-3-carboxamide
CID 134178131
6,8-dichloroisoquinoline-1-carboxamide
CID 82573949
3-(2-aminopropylamino)pyrazine-2-carboxamide
CID 63732548

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide?
The IUPAC name of 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide (CID 155713883) is 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide is CC[C@H](C)c1c(Cl)ccnc1C(N)=O.
What is the InChIKey of 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide?
The InChIKey is FZFUZXIOVSOXDF-LURJTMIESA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-6(2)8-7(11)4-5-13-9(8)10(12)14/h4-6H,3H2,1-2H3,(H2,12,14)/t6-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide?
3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 155713883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).