N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide

C21H18N8O3 — CID 1463760

IUPACN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C21H18N8O3/c1-32-18-9-5-4-8-16(18)24-19(30)13-29-27-20(26-28-29)14-6-2-3-7-15(14)25-21(31)17-12-22-10-11-23-17/h2-12H,13H2,1H3,(H,24,30)(H,25,31)
InChIKeyKBYAPXGCKPLOCQ-UHFFFAOYSA-N
MW430.43 g/mol
LogP2.03
Rot. Bonds7

About N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide

N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 1463760) has the molecular formula C21H18N8O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
PubChem CID1463760
Molecular FormulaC21H18N8O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C21H18N8O3/c1-32-18-9-5-4-8-16(18)24-19(30)13-29-27-20(26-28-29)14-6-2-3-7-15(14)25-21(31)17-12-22-10-11-23-17/h2-12H,13H2,1H3,(H,24,30)(H,25,31)
InChIKeyKBYAPXGCKPLOCQ-UHFFFAOYSA-N
XLogP2.03
TPSA136.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (CID 1463760) is N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1.
What is the InChIKey of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is KBYAPXGCKPLOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O3/c1-32-18-9-5-4-8-16(18)24-19(30)13-29-27-20(26-28-29)14-6-2-3-7-15(14)25-21(31)17-12-22-10-11-23-17/h2-12H,13H2,1H3,(H,24,30)(H,25,31).
What are the key properties of N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1463760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).