butane;pyridin-3-yl carbamate

C10H16N2O2 — CID 69137647

IUPACbutane;pyridin-3-yl carbamate
SMILESCCCC.NC(=O)Oc1cccnc1
InChIInChI=1S/C6H6N2O2.C4H10/c7-6(9)10-5-2-1-3-8-4-5;1-3-4-2/h1-4H,(H2,7,9);3-4H2,1-2H3
InChIKeyBWTQUYMUABNBLE-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.35
Rot. Bonds2

About butane;pyridin-3-yl carbamate

butane;pyridin-3-yl carbamate (PubChem CID 69137647) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is butane;pyridin-3-yl carbamate.

Molecular Properties

Compound Namebutane;pyridin-3-yl carbamate
PubChem CID69137647
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namebutane;pyridin-3-yl carbamate
SMILESCCCC.NC(=O)Oc1cccnc1
InChIInChI=1S/C6H6N2O2.C4H10/c7-6(9)10-5-2-1-3-8-4-5;1-3-4-2/h1-4H,(H2,7,9);3-4H2,1-2H3
InChIKeyBWTQUYMUABNBLE-UHFFFAOYSA-N
XLogP2.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze butane;pyridin-3-yl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;phenyl carbamate
CID 145076324
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
pyridin-3-yl 2-pyridin-3-ylacetate
CID 142079829
1,3-diaminourea;3-methoxypyridine
CID 175323453
pyridin-3-yl N-[(dimethylamino)methyl]-N-heptylcarbamate;dihydrochloride
CID 3027934
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
2-pyridin-3-yloxybutanoic acid
CID 18796174
3-phenoxy-2-pyridin-3-ylhept-2-enamide
CID 69128651
guanidine;pyridin-3-yl nitrate
CID 173434009
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
pyridin-3-yl 4-methylthiadiazole-5-carboxylate
CID 3294080

Frequently Asked Questions

What is the IUPAC name of butane;pyridin-3-yl carbamate?
The IUPAC name of butane;pyridin-3-yl carbamate (CID 69137647) is butane;pyridin-3-yl carbamate.
What is the SMILES notation for butane;pyridin-3-yl carbamate?
The canonical SMILES for butane;pyridin-3-yl carbamate is CCCC.NC(=O)Oc1cccnc1.
What is the InChIKey of butane;pyridin-3-yl carbamate?
The InChIKey is BWTQUYMUABNBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.C4H10/c7-6(9)10-5-2-1-3-8-4-5;1-3-4-2/h1-4H,(H2,7,9);3-4H2,1-2H3.
What are the key properties of butane;pyridin-3-yl carbamate?
butane;pyridin-3-yl carbamate has a molecular weight of 196.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;pyridin-3-yl carbamate is sourced from PubChem (CID 69137647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).