2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide

C20H24N6O4 — CID 23932909

IUPAC2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NCCN)cc1
InChIInChI=1S/C20H24N6O4/c1-30-16-6-4-15(5-7-16)24-20(29)26-12-11-25(18(26)17(27)23-10-8-21)19(28)14-3-2-9-22-13-14/h2-7,9,13,18H,8,10-12,21H2,1H3,(H,23,27)(H,24,29)
InChIKeyXTRVUHITHCIVPL-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.48
Rot. Bonds6

About 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide

2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23932909) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
PubChem CID23932909
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NCCN)cc1
InChIInChI=1S/C20H24N6O4/c1-30-16-6-4-15(5-7-16)24-20(29)26-12-11-25(18(26)17(27)23-10-8-21)19(28)14-3-2-9-22-13-14/h2-7,9,13,18H,8,10-12,21H2,1H3,(H,23,27)(H,24,29)
InChIKeyXTRVUHITHCIVPL-UHFFFAOYSA-N
XLogP0.48
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide 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-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
CID 23908107
2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(2-phenoxypropanoyl)imidazolidine-1,2-dicarboxamide
CID 23963542
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 161443494
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23876492
(2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23819818
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23791087
N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide
CID 23909512
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
CID 23941237

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide (CID 23932909) is 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NCCN)cc1.
What is the InChIKey of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is XTRVUHITHCIVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-30-16-6-4-15(5-7-16)24-20(29)26-12-11-25(18(26)17(27)23-10-8-21)19(28)14-3-2-9-22-13-14/h2-7,9,13,18H,8,10-12,21H2,1H3,(H,23,27)(H,24,29).
What are the key properties of 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 412.45 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23932909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).