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

C18H23FN4O — CID 109207899

IUPAC4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN4O/c1-23(2)11-3-9-20-16-8-10-21-17(12-16)18(24)22-13-14-4-6-15(19)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyPFJOXYSGIUDFIJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.51
Rot. Bonds8

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

4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109207899) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109207899
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN4O/c1-23(2)11-3-9-20-16-8-10-21-17(12-16)18(24)22-13-14-4-6-15(19)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyPFJOXYSGIUDFIJ-UHFFFAOYSA-N
XLogP2.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.51
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-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109207899) is 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CN(C)CCCNc1ccnc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is PFJOXYSGIUDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-23(2)11-3-9-20-16-8-10-21-17(12-16)18(24)22-13-14-4-6-15(19)7-5-14/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109207899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).