N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide

C16H18FN3O — CID 109181549

IUPACN-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-3-11(2)19-16(21)15-8-7-14(10-18-15)20-13-6-4-5-12(17)9-13/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyHDCMNVGHNYRNQE-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.49
Rot. Bonds5

About N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide

N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide (PubChem CID 109181549) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
PubChem CID109181549
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2cccc(F)c2)cn1
InChIInChI=1S/C16H18FN3O/c1-3-11(2)19-16(21)15-8-7-14(10-18-15)20-13-6-4-5-12(17)9-13/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyHDCMNVGHNYRNQE-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109198040
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
CID 109181511
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191278
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide (CID 109181549) is N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1ccc(Nc2cccc(F)c2)cn1.
What is the InChIKey of N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide?
The InChIKey is HDCMNVGHNYRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-11(2)19-16(21)15-8-7-14(10-18-15)20-13-6-4-5-12(17)9-13/h4-11,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide?
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109181549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).