N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide

C25H29FN6O2 — CID 25029827

IUPACN-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C25H29FN6O2/c1-31(2)13-6-14-32(25(34)29-20-8-5-7-19(26)15-20)17-18-11-12-23(28-16-18)24(33)30-22-10-4-3-9-21(22)27/h3-5,7-12,15-16H,6,13-14,17,27H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyJMTPTPVQDHJEIZ-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.04
Rot. Bonds9

About N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 25029827) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
PubChem CID25029827
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC NameN-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C25H29FN6O2/c1-31(2)13-6-14-32(25(34)29-20-8-5-7-19(26)15-20)17-18-11-12-23(28-16-18)24(33)30-22-10-4-3-9-21(22)27/h3-5,7-12,15-16H,6,13-14,17,27H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyJMTPTPVQDHJEIZ-UHFFFAOYSA-N
XLogP4.04
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763
N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 59225226
N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 25029580
N-(2-aminophenyl)-5-[[(3-chlorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 59225101
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029829
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-(thiophen-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59225169
5-[[3-(dimethylamino)propyl-[(3-methylsulfanylphenyl)carbamoyl]amino]methyl]-N-[2-(methylamino)phenyl]pyridine-2-carboxamide
CID 145482061
N-(2-aminophenyl)-5-[[[(Z)-1-(3-fluoroanilino)prop-1-enyl]-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 89119874
N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 145488614
N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 44513522

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide (CID 25029827) is N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide is CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is JMTPTPVQDHJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-31(2)13-6-14-32(25(34)29-20-8-5-7-19(26)15-20)17-18-11-12-23(28-16-18)24(33)30-22-10-4-3-9-21(22)27/h3-5,7-12,15-16H,6,13-14,17,27H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 25029827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).