2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide

C30H30N6O3 — CID 69287198

IUPAC2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide
SMILESNC(=O)C(C(=O)N(CCc1ccncc1)CCc1ccncc1)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C30H30N6O3/c31-25-3-1-2-4-26(25)35-29(38)24-7-5-23(6-8-24)27(28(32)37)30(39)36(19-13-21-9-15-33-16-10-21)20-14-22-11-17-34-18-12-22/h1-12,15-18,27H,13-14,19-20,31H2,(H2,32,37)(H,35,38)
InChIKeyZCUHBYBDRXIQIY-UHFFFAOYSA-N
MW522.61 g/mol
LogP3.19
Rot. Bonds11

About 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide

2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide (PubChem CID 69287198) has the molecular formula C30H30N6O3 and a molecular weight of 522.61 g/mol. Its IUPAC name is 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound Name2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide
PubChem CID69287198
Molecular FormulaC30H30N6O3
Molecular Weight522.61 g/mol
Exact Mass522.24
IUPAC Name2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide
SMILESNC(=O)C(C(=O)N(CCc1ccncc1)CCc1ccncc1)c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C30H30N6O3/c31-25-3-1-2-4-26(25)35-29(38)24-7-5-23(6-8-24)27(28(32)37)30(39)36(19-13-21-9-15-33-16-10-21)20-14-22-11-17-34-18-12-22/h1-12,15-18,27H,13-14,19-20,31H2,(H2,32,37)(H,35,38)
InChIKeyZCUHBYBDRXIQIY-UHFFFAOYSA-N
XLogP3.19
TPSA144.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.61
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide 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

2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis[3-(trifluoromethyl)phenyl]propanediamide
CID 87767037
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
N-(2-aminophenyl)-4-[bis(2-chloroethyl)amino]benzamide
CID 141472495
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 25052283
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 164615117
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide (CID 69287198) is 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide is NC(=O)C(C(=O)N(CCc1ccncc1)CCc1ccncc1)c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is ZCUHBYBDRXIQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3/c31-25-3-1-2-4-26(25)35-29(38)24-7-5-23(6-8-24)27(28(32)37)30(39)36(19-13-21-9-15-33-16-10-21)20-14-22-11-17-34-18-12-22/h1-12,15-18,27H,13-14,19-20,31H2,(H2,32,37)(H,35,38).
What are the key properties of 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide?
2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 522.61 g/mol, XLogP of 3.19, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminophenyl)carbamoyl]phenyl]-N',N'-bis(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 69287198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).