pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate

C17H17N5O2 — CID 122274118

IUPACpyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
SMILESCn1nccc1-c1cncc(CNC(=O)OCc2ccncc2)c1
InChIInChI=1S/C17H17N5O2/c1-22-16(4-7-21-22)15-8-14(9-19-11-15)10-20-17(23)24-12-13-2-5-18-6-3-13/h2-9,11H,10,12H2,1H3,(H,20,23)
InChIKeyOSFMIFQDKGKSMR-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.30
Rot. Bonds5

About pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate

pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 122274118) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
PubChem CID122274118
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Namepyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
SMILESCn1nccc1-c1cncc(CNC(=O)OCc2ccncc2)c1
InChIInChI=1S/C17H17N5O2/c1-22-16(4-7-21-22)15-8-14(9-19-11-15)10-20-17(23)24-12-13-2-5-18-6-3-13/h2-9,11H,10,12H2,1H3,(H,20,23)
InChIKeyOSFMIFQDKGKSMR-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

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Related Compounds

(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274109
1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 122273897
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273925
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate (CID 122274118) is pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate is Cn1nccc1-c1cncc(CNC(=O)OCc2ccncc2)c1.
What is the InChIKey of pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
The InChIKey is OSFMIFQDKGKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-16(4-7-21-22)15-8-14(9-19-11-15)10-20-17(23)24-12-13-2-5-18-6-3-13/h2-9,11H,10,12H2,1H3,(H,20,23).
What are the key properties of pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-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-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 122274118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).