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

C24H27FN6O2 — CID 25030763

IUPACN-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C24H27FN6O2/c1-30(2)12-13-31(24(33)28-19-7-5-6-18(25)14-19)16-17-10-11-22(27-15-17)23(32)29-21-9-4-3-8-20(21)26/h3-11,14-15H,12-13,16,26H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyQFNMQZRVMHCHQA-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.65
Rot. Bonds8

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

N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 25030763) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
PubChem CID25030763
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC NameN-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C24H27FN6O2/c1-30(2)12-13-31(24(33)28-19-7-5-6-18(25)14-19)16-17-10-11-22(27-15-17)23(32)29-21-9-4-3-8-20(21)26/h3-11,14-15H,12-13,16,26H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyQFNMQZRVMHCHQA-UHFFFAOYSA-N
XLogP3.65
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.65
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-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029827
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-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767
N-(2-aminophenyl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 59225014
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-(phenacylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59224948
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-(thiophen-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59225169
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-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 59225162

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide (CID 25030763) is N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide is CN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is QFNMQZRVMHCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-30(2)12-13-31(24(33)28-19-7-5-6-18(25)14-19)16-17-10-11-22(27-15-17)23(32)29-21-9-4-3-8-20(21)26/h3-11,14-15H,12-13,16,26H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 25030763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).