butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate

C12H18N2O2 — CID 155071735

IUPACbutyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
SMILESCCCCOC(=O)NCc1cc(C)ccn1
InChIInChI=1S/C12H18N2O2/c1-3-4-7-16-12(15)14-9-11-8-10(2)5-6-13-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyGQXMJJNOSYPLPG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.42
Rot. Bonds5

About butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate

butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate (PubChem CID 155071735) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
PubChem CID155071735
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namebutyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
SMILESCCCCOC(=O)NCc1cc(C)ccn1
InChIInChI=1S/C12H18N2O2/c1-3-4-7-16-12(15)14-9-11-8-10(2)5-6-13-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyGQXMJJNOSYPLPG-UHFFFAOYSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
butyl N-[(2-methylphenyl)methyl]carbamate
CID 70509703
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
ethyl N-[[4-(3-hydroxyazetidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112531402
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate
CID 158412826
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988

Frequently Asked Questions

What is the IUPAC name of butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate (CID 155071735) is butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate is CCCCOC(=O)NCc1cc(C)ccn1.
What is the InChIKey of butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate?
The InChIKey is GQXMJJNOSYPLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-7-16-12(15)14-9-11-8-10(2)5-6-13-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15).
What are the key properties of butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate?
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 155071735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).