ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate

C14H18N4O4 — CID 10780963

IUPACethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1nc(C)n2ccccc12
InChIInChI=1S/C14H18N4O4/c1-4-21-13(19)16-18(14(20)22-5-2)12-11-8-6-7-9-17(11)10(3)15-12/h6-9H,4-5H2,1-3H3,(H,16,19)
InChIKeyOOISUTAIRRIGKV-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.27
Rot. Bonds3

About ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate (PubChem CID 10780963) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate
PubChem CID10780963
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1nc(C)n2ccccc12
InChIInChI=1S/C14H18N4O4/c1-4-21-13(19)16-18(14(20)22-5-2)12-11-8-6-7-9-17(11)10(3)15-12/h6-9H,4-5H2,1-3H3,(H,16,19)
InChIKeyOOISUTAIRRIGKV-UHFFFAOYSA-N
XLogP2.27
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate (CID 10780963) is ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate is CCOC(=O)NN(C(=O)OCC)c1nc(C)n2ccccc12.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate?
The InChIKey is OOISUTAIRRIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-4-21-13(19)16-18(14(20)22-5-2)12-11-8-6-7-9-17(11)10(3)15-12/h6-9H,4-5H2,1-3H3,(H,16,19).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate has a molecular weight of 306.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate is sourced from PubChem (CID 10780963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).