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

C26H29N7O2 — CID 25033160

IUPACN-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide
SMILESCN(C)C(CCC(NC(N)=O)c1ccc(C(=O)Nc2ccccc2N)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C26H29N7O2/c1-33(2)24(18-9-7-17(15-27)8-10-18)14-13-21(32-26(29)35)19-11-12-23(30-16-19)25(34)31-22-6-4-3-5-20(22)28/h3-12,16,21,24H,13-14,28H2,1-2H3,(H,31,34)(H3,29,32,35)
InChIKeyUNLBWHYQDXWBDR-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.58
Rot. Bonds9

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

N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide (PubChem CID 25033160) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide
PubChem CID25033160
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide
SMILESCN(C)C(CCC(NC(N)=O)c1ccc(C(=O)Nc2ccccc2N)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C26H29N7O2/c1-33(2)24(18-9-7-17(15-27)8-10-18)14-13-21(32-26(29)35)19-11-12-23(30-16-19)25(34)31-22-6-4-3-5-20(22)28/h3-12,16,21,24H,13-14,28H2,1-2H3,(H,31,34)(H3,29,32,35)
InChIKeyUNLBWHYQDXWBDR-UHFFFAOYSA-N
XLogP3.58
TPSA150.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.58
H-Bond Donors ≤ 54
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-(dimethylamino)-6-oxo-5-phenylhex-5-enyl]pyridine-2-carboxamide
CID 25033238
N-(2-aminophenyl)-5-[1-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutyl]pyridine-2-carboxamide
CID 69018217
N-(2-aminophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-(dimethylamino)butyl]pyridine-2-carboxamide
CID 68965213
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
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-ethylpyridine-2-carboxamide
CID 145488615
N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 63723902
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide (CID 25033160) is N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide is CN(C)C(CCC(NC(N)=O)c1ccc(C(=O)Nc2ccccc2N)nc1)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
The InChIKey is UNLBWHYQDXWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-33(2)24(18-9-7-17(15-27)8-10-18)14-13-21(32-26(29)35)19-11-12-23(30-16-19)25(34)31-22-6-4-3-5-20(22)28/h3-12,16,21,24H,13-14,28H2,1-2H3,(H,31,34)(H3,29,32,35).
What are the key properties of N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.58, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[1-(carbamoylamino)-4-(4-cyanophenyl)-4-(dimethylamino)butyl]pyridine-2-carboxamide is sourced from PubChem (CID 25033160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).