butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate

C12H15N3O2 — CID 172774218

IUPACbutyl N-imidazo[1,5-a]pyridin-6-ylcarbamate
SMILESCCCCOC(=O)Nc1ccc2cncn2c1
InChIInChI=1S/C12H15N3O2/c1-2-3-6-17-12(16)14-10-4-5-11-7-13-9-15(11)8-10/h4-5,7-9H,2-3,6H2,1H3,(H,14,16)
InChIKeyNJBSXRWRTIJLBY-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.68
Rot. Bonds4

About butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate

butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate (PubChem CID 172774218) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate.

Molecular Properties

Compound Namebutyl N-imidazo[1,5-a]pyridin-6-ylcarbamate
PubChem CID172774218
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namebutyl N-imidazo[1,5-a]pyridin-6-ylcarbamate
SMILESCCCCOC(=O)Nc1ccc2cncn2c1
InChIInChI=1S/C12H15N3O2/c1-2-3-6-17-12(16)14-10-4-5-11-7-13-9-15(11)8-10/h4-5,7-9H,2-3,6H2,1H3,(H,14,16)
InChIKeyNJBSXRWRTIJLBY-UHFFFAOYSA-N
XLogP2.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
butyl N-(4-nitrophenyl)carbamate
CID 522878
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
butyl N-(5-cyano-3-pyridinyl)carbamate
CID 175706193
dodecyl N-phenylcarbamate
CID 521818
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320

Frequently Asked Questions

What is the IUPAC name of butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate?
The IUPAC name of butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate (CID 172774218) is butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate.
What is the SMILES notation for butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate?
The canonical SMILES for butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate is CCCCOC(=O)Nc1ccc2cncn2c1.
What is the InChIKey of butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate?
The InChIKey is NJBSXRWRTIJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-6-17-12(16)14-10-4-5-11-7-13-9-15(11)8-10/h4-5,7-9H,2-3,6H2,1H3,(H,14,16).
What are the key properties of butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate?
butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate has a molecular weight of 233.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-imidazo[1,5-a]pyridin-6-ylcarbamate is sourced from PubChem (CID 172774218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).