4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide

C12H17ClFN3O2 — CID 166390435

IUPAC4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1cnc(Cl)c(F)c1N
InChIInChI=1S/C12H17ClFN3O2/c1-12(2,3)7(5-18)17-11(19)6-4-16-10(13)8(14)9(6)15/h4,7,18H,5H2,1-3H3,(H2,15,16)(H,17,19)/t7-/m1/s1
InChIKeyIVWJSBQUCRSTFV-SSDOTTSWSA-N
MW289.74 g/mol
LogP1.59
Rot. Bonds3

About 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide

4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 166390435) has the molecular formula C12H17ClFN3O2 and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide
PubChem CID166390435
Molecular FormulaC12H17ClFN3O2
Molecular Weight289.74 g/mol
Exact Mass289.10
IUPAC Name4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1cnc(Cl)c(F)c1N
InChIInChI=1S/C12H17ClFN3O2/c1-12(2,3)7(5-18)17-11(19)6-4-16-10(13)8(14)9(6)15/h4,7,18H,5H2,1-3H3,(H2,15,16)(H,17,19)/t7-/m1/s1
InChIKeyIVWJSBQUCRSTFV-SSDOTTSWSA-N
XLogP1.59
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
CID 10692135
4-amino-6-chloro-5-fluoro-N,N-dipropylpyridine-3-carboxamide
CID 166390434
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 103892511
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
3-O-tert-butyl 1-O-methyl 2-(2-chloro-5-ethoxycarbonyl-3-fluoro-4-pyridinyl)propanedioate
CID 172607422
N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
CID 114208039
4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 114176687
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801
(2S)-2-[(5-chloro-1,3-thiazol-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 126988145
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
(4-amino-6-chloro-5-fluoro-3-pyridinyl) 2-methylidenebutanoate
CID 170319493

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide (CID 166390435) is 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide is CC(C)(C)[C@@H](CO)NC(=O)c1cnc(Cl)c(F)c1N.
What is the InChIKey of 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is IVWJSBQUCRSTFV-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17ClFN3O2/c1-12(2,3)7(5-18)17-11(19)6-4-16-10(13)8(14)9(6)15/h4,7,18H,5H2,1-3H3,(H2,15,16)(H,17,19)/t7-/m1/s1.
What are the key properties of 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide?
4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 289.74 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-5-fluoro-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166390435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).