methyl N-(4-pyridin-3-ylbutyl)carbamate

C11H16N2O2 — CID 110661300

IUPACmethyl N-(4-pyridin-3-ylbutyl)carbamate
SMILESCOC(=O)NCCCCc1cccnc1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)13-8-3-2-5-10-6-4-7-12-9-10/h4,6-7,9H,2-3,5,8H2,1H3,(H,13,14)
InChIKeyBCKPMMUSUMJTIE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.76
Rot. Bonds5

About methyl N-(4-pyridin-3-ylbutyl)carbamate

methyl N-(4-pyridin-3-ylbutyl)carbamate (PubChem CID 110661300) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl N-(4-pyridin-3-ylbutyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-pyridin-3-ylbutyl)carbamate
PubChem CID110661300
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl N-(4-pyridin-3-ylbutyl)carbamate
SMILESCOC(=O)NCCCCc1cccnc1
InChIInChI=1S/C11H16N2O2/c1-15-11(14)13-8-3-2-5-10-6-4-7-12-9-10/h4,6-7,9H,2-3,5,8H2,1H3,(H,13,14)
InChIKeyBCKPMMUSUMJTIE-UHFFFAOYSA-N
XLogP1.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-(4-pyridin-3-ylbutyl)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

N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
tert-butyl N-[(E)-12-pyridin-3-yldodec-3-enyl]carbamate
CID 11142934
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
pyridin-3-ylmethyl N-butylcarbamate
CID 14002804
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-pyridin-3-ylbutyl)carbamate?
The IUPAC name of methyl N-(4-pyridin-3-ylbutyl)carbamate (CID 110661300) is methyl N-(4-pyridin-3-ylbutyl)carbamate.
What is the SMILES notation for methyl N-(4-pyridin-3-ylbutyl)carbamate?
The canonical SMILES for methyl N-(4-pyridin-3-ylbutyl)carbamate is COC(=O)NCCCCc1cccnc1.
What is the InChIKey of methyl N-(4-pyridin-3-ylbutyl)carbamate?
The InChIKey is BCKPMMUSUMJTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11(14)13-8-3-2-5-10-6-4-7-12-9-10/h4,6-7,9H,2-3,5,8H2,1H3,(H,13,14).
What are the key properties of methyl N-(4-pyridin-3-ylbutyl)carbamate?
methyl N-(4-pyridin-3-ylbutyl)carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-pyridin-3-ylbutyl)carbamate is sourced from PubChem (CID 110661300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).