benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate

C17H17N3O3 — CID 67541912

IUPACbenzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
SMILESNc1cncc(C(=O)NC2(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C17H17N3O3/c18-14-8-13(9-19-10-14)15(21)20-17(6-7-17)16(22)23-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11,18H2,(H,20,21)
InChIKeyWXLKZXDVENKOKJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.67
Rot. Bonds5

About benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate

benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate (PubChem CID 67541912) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
PubChem CID67541912
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Namebenzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
SMILESNc1cncc(C(=O)NC2(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C17H17N3O3/c18-14-8-13(9-19-10-14)15(21)20-17(6-7-17)16(22)23-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11,18H2,(H,20,21)
InChIKeyWXLKZXDVENKOKJ-UHFFFAOYSA-N
XLogP1.67
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
The IUPAC name of benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate (CID 67541912) is benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate.
What is the SMILES notation for benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
The canonical SMILES for benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate is Nc1cncc(C(=O)NC2(C(=O)OCc3ccccc3)CC2)c1.
What is the InChIKey of benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
The InChIKey is WXLKZXDVENKOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-14-8-13(9-19-10-14)15(21)20-17(6-7-17)16(22)23-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11,18H2,(H,20,21).
What are the key properties of benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate?
benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[(5-aminopyridine-3-carbonyl)amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 67541912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).