pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate

C17H17N5O2 — CID 121022836

IUPACpyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
SMILESCn1cc(-c2ncccc2CNC(=O)OCc2ccccn2)cn1
InChIInChI=1S/C17H17N5O2/c1-22-11-14(10-21-22)16-13(5-4-8-19-16)9-20-17(23)24-12-15-6-2-3-7-18-15/h2-8,10-11H,9,12H2,1H3,(H,20,23)
InChIKeyMMNFZWGXSGWQLF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.30
Rot. Bonds5

About pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate

pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 121022836) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
PubChem CID121022836
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Namepyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
SMILESCn1cc(-c2ncccc2CNC(=O)OCc2ccccn2)cn1
InChIInChI=1S/C17H17N5O2/c1-22-11-14(10-21-22)16-13(5-4-8-19-16)9-20-17(23)24-12-15-6-2-3-7-18-15/h2-8,10-11H,9,12H2,1H3,(H,20,23)
InChIKeyMMNFZWGXSGWQLF-UHFFFAOYSA-N
XLogP2.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate (CID 121022836) is pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate is Cn1cc(-c2ncccc2CNC(=O)OCc2ccccn2)cn1.
What is the InChIKey of pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
The InChIKey is MMNFZWGXSGWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-11-14(10-21-22)16-13(5-4-8-19-16)9-20-17(23)24-12-15-6-2-3-7-18-15/h2-8,10-11H,9,12H2,1H3,(H,20,23).
What are the key properties of pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate has a molecular weight of 323.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 121022836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).