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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Related Compounds

dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
benzyl 1-[(4-methyl-1H-pyrrole-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 122152422
benzyl 1-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylate;benzyl 1-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 161174199
2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
CID 70338287
benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;ethyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 158945243
methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
CID 86834370
N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
5-phenylmethoxypyridin-3-amine
CID 22989735
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
5-amino-N-pyridin-2-ylpyridine-3-carboxamide
CID 110488361
(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 22766477

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).