6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C19H25FN4O — CID 109154237

IUPAC6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H25FN4O/c1-24(2)13-3-11-21-18-9-6-16(14-23-18)19(25)22-12-10-15-4-7-17(20)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyRSWDMDSKJONQLB-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.56
Rot. Bonds9

About 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109154237) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109154237
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ccc(C(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H25FN4O/c1-24(2)13-3-11-21-18-9-6-16(14-23-18)19(25)22-12-10-15-4-7-17(20)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyRSWDMDSKJONQLB-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

N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-[2-(4-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridine-3-carboxamide
CID 109151422
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62237222
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153751
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[4-(dimethylamino)phenyl]-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158671
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109154237) is 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is CN(C)CCCNc1ccc(C(=O)NCCc2ccc(F)cc2)cn1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is RSWDMDSKJONQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-24(2)13-3-11-21-18-9-6-16(14-23-18)19(25)22-12-10-15-4-7-17(20)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
6-[3-(dimethylamino)propylamino]-N-[2-(4-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 6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109154237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).