2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide

C12H17FN2O2 — CID 107358920

IUPAC2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cccnc1F
InChIInChI=1S/C12H17FN2O2/c1-8(2)6-9(7-16)15-12(17)10-4-3-5-14-11(10)13/h3-5,8-9,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyYVMVLQPNLIHWED-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.36
Rot. Bonds5

About 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide

2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 107358920) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
PubChem CID107358920
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cccnc1F
InChIInChI=1S/C12H17FN2O2/c1-8(2)6-9(7-16)15-12(17)10-4-3-5-14-11(10)13/h3-5,8-9,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyYVMVLQPNLIHWED-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61242019
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61247337
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide (CID 107358920) is 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide is CC(C)CC(CO)NC(=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is YVMVLQPNLIHWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)6-9(7-16)15-12(17)10-4-3-5-14-11(10)13/h3-5,8-9,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide?
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 107358920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).