3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide

C16H18FN3O — CID 105386176

IUPAC3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)Cc2ccccc2)c1F
InChIInChI=1S/C16H18FN3O/c1-11(10-12-6-4-3-5-7-12)20-16(21)13-8-9-19-15(18-2)14(13)17/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAUZPVGNFCWREPE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.62
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 105386176) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
PubChem CID105386176
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)Cc2ccccc2)c1F
InChIInChI=1S/C16H18FN3O/c1-11(10-12-6-4-3-5-7-12)20-16(21)13-8-9-19-15(18-2)14(13)17/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAUZPVGNFCWREPE-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-hydrazinyl-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105388315
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 105386606
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105385748
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 63011141
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105386525

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide (CID 105386176) is 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide is CNc1nccc(C(=O)NC(C)Cc2ccccc2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is AUZPVGNFCWREPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(10-12-6-4-3-5-7-12)20-16(21)13-8-9-19-15(18-2)14(13)17/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105386176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).