N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide

C16H18FN3O — CID 113024232

IUPACN-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O/c1-3-11(2)19-12-8-9-15(18-10-12)20-16(21)13-6-4-5-7-14(13)17/h4-11,19H,3H2,1-2H3,(H,18,20,21)
InChIKeySTWUVWCBOQLKOG-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.68
Rot. Bonds5

About N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide

N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 113024232) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
PubChem CID113024232
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O/c1-3-11(2)19-12-8-9-15(18-10-12)20-16(21)13-6-4-5-7-14(13)17/h4-11,19H,3H2,1-2H3,(H,18,20,21)
InChIKeySTWUVWCBOQLKOG-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

2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
2-fluoro-N-[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]benzamide
CID 82022519
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266
2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 82034192
2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287

Frequently Asked Questions

What is the IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide (CID 113024232) is N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide is CCC(C)Nc1ccc(NC(=O)c2ccccc2F)nc1.
What is the InChIKey of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is STWUVWCBOQLKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-11(2)19-12-8-9-15(18-10-12)20-16(21)13-6-4-5-7-14(13)17/h4-11,19H,3H2,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide?
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide 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 N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113024232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).