N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide

C25H28F2N6O2 — CID 25029580

IUPACN-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C25H28F2N6O2/c1-32(2)12-5-13-33(25(35)30-18-9-10-19(26)20(27)14-18)16-17-8-11-23(29-15-17)24(34)31-22-7-4-3-6-21(22)28/h3-4,6-11,14-15H,5,12-13,16,28H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyGLZUZBMECQSIKY-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.18
Rot. Bonds9

About N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 25029580) has the molecular formula C25H28F2N6O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
PubChem CID25029580
Molecular FormulaC25H28F2N6O2
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC NameN-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C25H28F2N6O2/c1-32(2)12-5-13-33(25(35)30-18-9-10-19(26)20(27)14-18)16-17-8-11-23(29-15-17)24(34)31-22-7-4-3-6-21(22)28/h3-4,6-11,14-15H,5,12-13,16,28H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyGLZUZBMECQSIKY-UHFFFAOYSA-N
XLogP4.18
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.18
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-[[3-(dimethylamino)propyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029829
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029827
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767
N-(2-aminophenyl)-5-[[(3-chlorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 59225101
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-(dimethylamino)propyl-(thiophen-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59225169
N-(3-amino-2,3-dihydrothiophen-4-yl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 70894155
N-(2-aminophenyl)-5-[[(4-fluoro-3-methylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 59225094
tert-butyl N-[2-[[5-[[butyl-[(3,4-difluorophenyl)carbamoyl]amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate;propane
CID 145488694
5-[[3-(dimethylamino)propyl-[(3-methylsulfanylphenyl)carbamoyl]amino]methyl]-N-[2-(methylamino)phenyl]pyridine-2-carboxamide
CID 145482061
N-(2-aminophenyl)-5-[[1-[4-(dimethylamino)anilino]ethenyl-[4-(dimethylamino)butyl]amino]methyl]pyridine-2-carboxamide
CID 89124435

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide (CID 25029580) is N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide is CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is GLZUZBMECQSIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O2/c1-32(2)12-5-13-33(25(35)30-18-9-10-19(26)20(27)14-18)16-17-8-11-23(29-15-17)24(34)31-22-7-4-3-6-21(22)28/h3-4,6-11,14-15H,5,12-13,16,28H2,1-2H3,(H,30,35)(H,31,34).
What are the key properties of N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.18, 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-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 25029580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).