N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide

C24H24N6O3 — CID 69018217

IUPACN-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)NC(CCCO)c2ccc(C(=O)Nc3ccccc3N)nc2)cc1
InChIInChI=1S/C24H24N6O3/c25-14-16-7-10-18(11-8-16)28-24(33)30-20(6-3-13-31)17-9-12-22(27-15-17)23(32)29-21-5-2-1-4-19(21)26/h1-2,4-5,7-12,15,20,31H,3,6,13,26H2,(H,29,32)(H2,28,30,33)
InChIKeyIAISHNHKTYGFEW-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.42
Rot. Bonds8

About N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide (PubChem CID 69018217) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide
PubChem CID69018217
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)NC(CCCO)c2ccc(C(=O)Nc3ccccc3N)nc2)cc1
InChIInChI=1S/C24H24N6O3/c25-14-16-7-10-18(11-8-16)28-24(33)30-20(6-3-13-31)17-9-12-22(27-15-17)23(32)29-21-5-2-1-4-19(21)26/h1-2,4-5,7-12,15,20,31H,3,6,13,26H2,(H,29,32)(H2,28,30,33)
InChIKeyIAISHNHKTYGFEW-UHFFFAOYSA-N
XLogP3.42
TPSA153.16 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide
CID 25033160
N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
CID 25027313
4-[6-[(2-aminophenyl)carbamoyl]-3-pyridinyl]-4-[(3,4-difluorophenyl)carbamoylamino]butanoic acid
CID 69018584
N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide
CID 68965213
N-(2-aminophenyl)-4-[4-(dimethylamino)-1-[(4-methylphenyl)carbamoylamino]butyl]benzamide
CID 67423457
N-(2-aminophenyl)-5-[4-morpholin-4-yl-1-[(5-nitro-1,3-thiazol-2-yl)carbamoylamino]butyl]pyridine-2-carboxamide
CID 87637281
N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(dimethylamino)-6-oxo-5-phenylhex-5-enyl]pyridine-2-carboxamide
CID 25033238
N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide
CID 68808140
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
tert-butyl N-[2-[[5-[4-(dimethylamino)-1-(thiophen-3-ylcarbamoylamino)butyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 68555285

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide (CID 69018217) is N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide is N#Cc1ccc(NC(=O)NC(CCCO)c2ccc(C(=O)Nc3ccccc3N)nc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide?
The InChIKey is IAISHNHKTYGFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c25-14-16-7-10-18(11-8-16)28-24(33)30-20(6-3-13-31)17-9-12-22(27-15-17)23(32)29-21-5-2-1-4-19(21)26/h1-2,4-5,7-12,15,20,31H,3,6,13,26H2,(H,29,32)(H2,28,30,33).
What are the key properties of N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.42, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide is sourced from PubChem (CID 69018217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).