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

C19H25FN4O — CID 109229916

IUPAC5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H25FN4O/c1-24(2)11-5-9-22-17-12-16(13-21-14-17)19(25)23-10-8-15-6-3-4-7-18(15)20/h3-4,6-7,12-14,22H,5,8-11H2,1-2H3,(H,23,25)
InChIKeyIWBFQTUDTTYJEB-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.56
Rot. Bonds9

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

5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109229916) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109229916
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H25FN4O/c1-24(2)11-5-9-22-17-12-16(13-21-14-17)19(25)23-10-8-15-6-3-4-7-18(15)20/h3-4,6-7,12-14,22H,5,8-11H2,1-2H3,(H,23,25)
InChIKeyIWBFQTUDTTYJEB-UHFFFAOYSA-N
XLogP2.56
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
CID 109236255
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106321
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109229916) is 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is CN(C)CCCNc1cncc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is IWBFQTUDTTYJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-24(2)11-5-9-22-17-12-16(13-21-14-17)19(25)23-10-8-15-6-3-4-7-18(15)20/h3-4,6-7,12-14,22H,5,8-11H2,1-2H3,(H,23,25).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109229916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).