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

C20H24N6O3 — CID 23908107

IUPAC2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NCCN)c1
InChIInChI=1S/C20H24N6O3/c1-14-4-2-6-16(12-14)24-20(29)26-11-10-25(18(26)17(27)23-9-7-21)19(28)15-5-3-8-22-13-15/h2-6,8,12-13,18H,7,9-11,21H2,1H3,(H,23,27)(H,24,29)
InChIKeyDJRXRKYGHXLADJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.78
Rot. Bonds5

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

2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23908107) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
PubChem CID23908107
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NCCN)c1
InChIInChI=1S/C20H24N6O3/c1-14-4-2-6-16(12-14)24-20(29)26-11-10-25(18(26)17(27)23-9-7-21)19(28)15-5-3-8-22-13-15/h2-6,8,12-13,18H,7,9-11,21H2,1H3,(H,23,27)(H,24,29)
InChIKeyDJRXRKYGHXLADJ-UHFFFAOYSA-N
XLogP0.78
TPSA120.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
CID 23932909
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
CID 23941237
N-(2-aminoethyl)-1-(5-bromopyridine-3-carbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide
CID 23909512
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
CID 23910151
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23740092
N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23884474
2-N-(2-aminoethyl)-3-(3-bromobenzoyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23931787
2-N-[[3-(aminomethyl)phenyl]methyl]-3-(4-tert-butylbenzoyl)-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23853637
N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide
CID 23958826
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
3-[[1-(5-bromopyridine-3-carbonyl)-3-[(3-fluorophenyl)carbamoyl]-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid
CID 23884670
2-N-(2-aminoethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23939516

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide (CID 23908107) is 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NCCN)c1.
What is the InChIKey of 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is DJRXRKYGHXLADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-14-4-2-6-16(12-14)24-20(29)26-11-10-25(18(26)17(27)23-9-7-21)19(28)15-5-3-8-22-13-15/h2-6,8,12-13,18H,7,9-11,21H2,1H3,(H,23,27)(H,24,29).
What are the key properties of 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide?
2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23908107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).