N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide

C24H24N6O3 — CID 25027313

IUPACN-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)N(CCCO)Cc2ccc(C(=O)Nc3ccccc3N)nc2)cc1
InChIInChI=1S/C24H24N6O3/c25-14-17-6-9-19(10-7-17)28-24(33)30(12-3-13-31)16-18-8-11-22(27-15-18)23(32)29-21-5-2-1-4-20(21)26/h1-2,4-11,15,31H,3,12-13,16,26H2,(H,28,33)(H,29,32)
InChIKeyTUJPUKWMWYHFIE-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.20
Rot. Bonds8

About N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 25027313) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
PubChem CID25027313
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)N(CCCO)Cc2ccc(C(=O)Nc3ccccc3N)nc2)cc1
InChIInChI=1S/C24H24N6O3/c25-14-17-6-9-19(10-7-17)28-24(33)30(12-3-13-31)16-18-8-11-22(27-15-18)23(32)29-21-5-2-1-4-20(21)26/h1-2,4-11,15,31H,3,12-13,16,26H2,(H,28,33)(H,29,32)
InChIKeyTUJPUKWMWYHFIE-UHFFFAOYSA-N
XLogP3.20
TPSA144.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 25029580
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767
N-(2-aminophenyl)-5-[[(2-benzyl-1,3-dioxol-4-yl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
CID 57462963
N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 145488614
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029829
N-(2-aminophenyl)-5-[[(3-chlorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 59225101
N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide
CID 69018217
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029827
2-[[6-[(2-aminophenyl)carbamoyl]-3-pyridinyl]methyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
CID 59224928
N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 59225226
tert-butyl N-[2-[[5-[[[4-(dimethylamino)phenyl]carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225059
N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
CID 145488739

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide (CID 25027313) is N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide is N#Cc1ccc(NC(=O)N(CCCO)Cc2ccc(C(=O)Nc3ccccc3N)nc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is TUJPUKWMWYHFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c25-14-17-6-9-19(10-7-17)28-24(33)30(12-3-13-31)16-18-8-11-22(27-15-18)23(32)29-21-5-2-1-4-20(21)26/h1-2,4-11,15,31H,3,12-13,16,26H2,(H,28,33)(H,29,32).
What are the key properties of N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 25027313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).