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

C16H18FN3O — CID 62166991

IUPACN-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H18FN3O/c1-2-8-18-15-14(7-4-9-19-15)16(21)20-11-12-5-3-6-13(17)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyKEVSAMGTCKYVOE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.97
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62166991) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
PubChem CID62166991
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H18FN3O/c1-2-8-18-15-14(7-4-9-19-15)16(21)20-11-12-5-3-6-13(17)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyKEVSAMGTCKYVOE-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-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174071
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
N-[(3,4-difluorophenyl)methyl]-2-(prop-2-ynylamino)pyridine-3-carboxamide
CID 86669490
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide (CID 62166991) is N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is KEVSAMGTCKYVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-8-18-15-14(7-4-9-19-15)16(21)20-11-12-5-3-6-13(17)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-2-(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-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62166991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).