N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide

C16H18FN3O — CID 62166042

IUPACN-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O/c1-2-9-18-15-8-7-13(11-19-15)16(21)20-10-12-5-3-4-6-14(12)17/h3-8,11H,2,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyDWUFRQHROPSOKF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.97
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide

N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62166042) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
PubChem CID62166042
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O/c1-2-9-18-15-8-7-13(11-19-15)16(21)20-10-12-5-3-4-6-14(12)17/h3-8,11H,2,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyDWUFRQHROPSOKF-UHFFFAOYSA-N
XLogP2.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
6-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155884
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide (CID 62166042) is N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is DWUFRQHROPSOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-9-18-15-8-7-13(11-19-15)16(21)20-10-12-5-3-4-6-14(12)17/h3-8,11H,2,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62166042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).