N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide

C16H18FN3O — CID 104640089

IUPACN-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O/c1-2-8-18-14-6-7-15(19-11-14)16(21)20-10-12-4-3-5-13(17)9-12/h3-7,9,11,18H,2,8,10H2,1H3,(H,20,21)
InChIKeyVURXYZYJNMBXGG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.97
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide

N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104640089) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
PubChem CID104640089
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cccc(F)c2)nc1
InChIInChI=1S/C16H18FN3O/c1-2-8-18-14-6-7-15(19-11-14)16(21)20-10-12-4-3-5-13(17)9-12/h3-7,9,11,18H,2,8,10H2,1H3,(H,20,21)
InChIKeyVURXYZYJNMBXGG-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

N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide (CID 104640089) is N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NCc2cccc(F)c2)nc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is VURXYZYJNMBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-8-18-14-6-7-15(19-11-14)16(21)20-10-12-4-3-5-13(17)9-12/h3-7,9,11,18H,2,8,10H2,1H3,(H,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-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-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104640089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).