N-(pyridin-3-ylmethyl)carbamate

C7H7N2O2- — CID 19082872

IUPACN-(pyridin-3-ylmethyl)carbamate
SMILESO=C([O-])NCc1cccnc1
InChIInChI=1S/C7H8N2O2/c10-7(11)9-5-6-2-1-3-8-4-6/h1-4,9H,5H2,(H,10,11)/p-1
InChIKeyQCIPSBWBQQHNFS-UHFFFAOYSA-M
MW151.14 g/mol
LogP-0.49
Rot. Bonds2

About N-(pyridin-3-ylmethyl)carbamate

N-(pyridin-3-ylmethyl)carbamate (PubChem CID 19082872) has the molecular formula C7H7N2O2- and a molecular weight of 151.14 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)carbamate
PubChem CID19082872
Molecular FormulaC7H7N2O2-
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC NameN-(pyridin-3-ylmethyl)carbamate
SMILESO=C([O-])NCc1cccnc1
InChIInChI=1S/C7H8N2O2/c10-7(11)9-5-6-2-1-3-8-4-6/h1-4,9H,5H2,(H,10,11)/p-1
InChIKeyQCIPSBWBQQHNFS-UHFFFAOYSA-M
XLogP-0.49
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
2-nitro-1-(pyridin-3-ylmethyl)guanidine
CID 173335472
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of N-(pyridin-3-ylmethyl)carbamate (CID 19082872) is N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for N-(pyridin-3-ylmethyl)carbamate is O=C([O-])NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is QCIPSBWBQQHNFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)9-5-6-2-1-3-8-4-6/h1-4,9H,5H2,(H,10,11)/p-1.
What are the key properties of N-(pyridin-3-ylmethyl)carbamate?
N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 151.14 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 19082872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).