5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide

C16H18FN3O — CID 109225415

IUPAC5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H18FN3O/c1-3-11(2)19-13-8-12(9-18-10-13)16(21)20-15-7-5-4-6-14(15)17/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyYHWCSTFCTRQFRD-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.68
Rot. Bonds5

About 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide

5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109225415) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID109225415
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1cncc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H18FN3O/c1-3-11(2)19-13-8-12(9-18-10-13)16(21)20-15-7-5-4-6-14(15)17/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyYHWCSTFCTRQFRD-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109225394
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244137
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-(propan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223495

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 109225415) is 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide is CCC(C)Nc1cncc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is YHWCSTFCTRQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-11(2)19-13-8-12(9-18-10-13)16(21)20-15-7-5-4-6-14(15)17/h4-11,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109225415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).