N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide

C13H14ClN5O2 — CID 107378745

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cnc(NN)cn1
InChIInChI=1S/C13H14ClN5O2/c1-21-11-4-2-3-9(14)8(11)5-18-13(20)10-6-17-12(19-15)7-16-10/h2-4,6-7H,5,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyUQUZTRUGJKGNPD-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.35
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide

N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107378745) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107378745
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cnc(NN)cn1
InChIInChI=1S/C13H14ClN5O2/c1-21-11-4-2-3-9(14)8(11)5-18-13(20)10-6-17-12(19-15)7-16-10/h2-4,6-7H,5,15H2,1H3,(H,17,19)(H,18,20)
InChIKeyUQUZTRUGJKGNPD-UHFFFAOYSA-N
XLogP1.35
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 103293340
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292671
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292356
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 103293346
N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377845
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide (CID 107378745) is N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide is COc1cccc(Cl)c1CNC(=O)c1cnc(NN)cn1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is UQUZTRUGJKGNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-21-11-4-2-3-9(14)8(11)5-18-13(20)10-6-17-12(19-15)7-16-10/h2-4,6-7H,5,15H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107378745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).