N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide

C28H34N6O2 — CID 68965213

IUPACN-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide
SMILESCN(C)CCCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2ccccc2N)nc1
InChIInChI=1S/C28H34N6O2/c1-34(2)16-6-11-24(33-28(36)31-22-14-12-19-7-5-8-20(19)17-22)21-13-15-26(30-18-21)27(35)32-25-10-4-3-9-23(25)29/h3-4,9-10,12-15,17-18,24H,5-8,11,16,29H2,1-2H3,(H,32,35)(H2,31,33,36)
InChIKeyCQLSKGQZQGTUON-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.61
Rot. Bonds9

About N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide (PubChem CID 68965213) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide
PubChem CID68965213
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide
SMILESCN(C)CCCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2ccccc2N)nc1
InChIInChI=1S/C28H34N6O2/c1-34(2)16-6-11-24(33-28(36)31-22-14-12-19-7-5-8-20(19)17-22)21-13-15-26(30-18-21)27(35)32-25-10-4-3-9-23(25)29/h3-4,9-10,12-15,17-18,24H,5-8,11,16,29H2,1-2H3,(H,32,35)(H2,31,33,36)
InChIKeyCQLSKGQZQGTUON-UHFFFAOYSA-N
XLogP4.61
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)-3,3-dimethylbutyl]benzamide
CID 67423580
N-(2-aminophenyl)-4-[4-(dimethylamino)-1-[(4-methylphenyl)carbamoylamino]butyl]benzamide
CID 67423457
N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide
CID 69018217
4-[6-[(2-aminophenyl)carbamoyl]-3-pyridinyl]-4-[(3,4-difluorophenyl)carbamoylamino]butanoic acid
CID 69018584
tert-butyl N-[2-[[5-[4-(dimethylamino)-1-(thiophen-3-ylcarbamoylamino)butyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 68555285
N-(2-aminophenyl)-4-[3-(dimethylamino)-1-[(4-fluorophenyl)carbamoylamino]propyl]benzamide
CID 68808140
N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide
CID 25033160
N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 25029580
N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(dimethylamino)-6-oxo-5-phenylhex-5-enyl]pyridine-2-carboxamide
CID 25033238
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-(2,3-dihydro-1H-inden-5-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642215

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide (CID 68965213) is N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide is CN(C)CCCC(NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2ccccc2N)nc1.
What is the InChIKey of N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
The InChIKey is CQLSKGQZQGTUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-34(2)16-6-11-24(33-28(36)31-22-14-12-19-7-5-8-20(19)17-22)21-13-15-26(30-18-21)27(35)32-25-10-4-3-9-23(25)29/h3-4,9-10,12-15,17-18,24H,5-8,11,16,29H2,1-2H3,(H,32,35)(H2,31,33,36).
What are the key properties of N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.61, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide is sourced from PubChem (CID 68965213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).