5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide

C11H17N5O3 — CID 134700326

IUPAC5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide
SMILESCCCn1cnc(C(N)=O)c1NC(=O)CNC(C)=O
InChIInChI=1S/C11H17N5O3/c1-3-4-16-6-14-9(10(12)19)11(16)15-8(18)5-13-7(2)17/h6H,3-5H2,1-2H3,(H2,12,19)(H,13,17)(H,15,18)
InChIKeyNMABFIWYPUOZMC-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.53
Rot. Bonds6

About 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide

5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide (PubChem CID 134700326) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide
PubChem CID134700326
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide
SMILESCCCn1cnc(C(N)=O)c1NC(=O)CNC(C)=O
InChIInChI=1S/C11H17N5O3/c1-3-4-16-6-14-9(10(12)19)11(16)15-8(18)5-13-7(2)17/h6H,3-5H2,1-2H3,(H2,12,19)(H,13,17)(H,15,18)
InChIKeyNMABFIWYPUOZMC-UHFFFAOYSA-N
XLogP-0.53
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide?
The IUPAC name of 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide (CID 134700326) is 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide.
What is the SMILES notation for 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide?
The canonical SMILES for 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide is CCCn1cnc(C(N)=O)c1NC(=O)CNC(C)=O.
What is the InChIKey of 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide?
The InChIKey is NMABFIWYPUOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-3-4-16-6-14-9(10(12)19)11(16)15-8(18)5-13-7(2)17/h6H,3-5H2,1-2H3,(H2,12,19)(H,13,17)(H,15,18).
What are the key properties of 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide?
5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-acetamidoacetyl)amino]-1-propylimidazole-4-carboxamide is sourced from PubChem (CID 134700326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).