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

C27H33FN6O2 — CID 59225226

IUPACN-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCCN(CC)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H33FN6O2/c1-3-33(4-2)15-8-16-34(27(36)31-22-10-7-9-21(28)17-22)19-20-13-14-25(30-18-20)26(35)32-24-12-6-5-11-23(24)29/h5-7,9-14,17-18H,3-4,8,15-16,19,29H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyFLYKCFKQIORHRY-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.82
Rot. Bonds11

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

N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 59225226) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
PubChem CID59225226
Molecular FormulaC27H33FN6O2
Molecular Weight492.60 g/mol
Exact Mass492.26
IUPAC NameN-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCCN(CC)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C27H33FN6O2/c1-3-33(4-2)15-8-16-34(27(36)31-22-10-7-9-21(28)17-22)19-20-13-14-25(30-18-20)26(35)32-24-12-6-5-11-23(24)29/h5-7,9-14,17-18H,3-4,8,15-16,19,29H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyFLYKCFKQIORHRY-UHFFFAOYSA-N
XLogP4.82
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.82
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-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763
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-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 145488614
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(pentyl)amino]methyl]pyridine-2-carboxamide
CID 145488739
N-(2-aminophenyl)-5-[[(4-fluoro-3-methylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 59225094
N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
CID 25027313
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-(thiophen-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59225169

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide (CID 59225226) is N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide is CCN(CC)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is FLYKCFKQIORHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-3-33(4-2)15-8-16-34(27(36)31-22-10-7-9-21(28)17-22)19-20-13-14-25(30-18-20)26(35)32-24-12-6-5-11-23(24)29/h5-7,9-14,17-18H,3-4,8,15-16,19,29H2,1-2H3,(H,31,36)(H,32,35).
What are the key properties of N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 4.82, 11 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-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 59225226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).