3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide

C16H18FN3O — CID 104741224

IUPAC3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ncccc1N)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-10(2)14(11-5-7-12(17)8-6-11)20-16(21)15-13(18)4-3-9-19-15/h3-10,14H,18H2,1-2H3,(H,20,21)
InChIKeyCCAWQLNUYXILQK-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.93
Rot. Bonds4

About 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide

3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 104741224) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
PubChem CID104741224
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ncccc1N)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-10(2)14(11-5-7-12(17)8-6-11)20-16(21)15-13(18)4-3-9-19-15/h3-10,14H,18H2,1-2H3,(H,20,21)
InChIKeyCCAWQLNUYXILQK-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232
2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62787338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide (CID 104741224) is 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide is CC(C)C(NC(=O)c1ncccc1N)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is CCAWQLNUYXILQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10(2)14(11-5-7-12(17)8-6-11)20-16(21)15-13(18)4-3-9-19-15/h3-10,14H,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide?
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).