N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide

C21H18N8O2 — CID 1463796

IUPACN-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C21H18N8O2/c1-14-6-8-15(9-7-14)24-19(30)13-29-27-20(26-28-29)16-4-2-3-5-17(16)25-21(31)18-12-22-10-11-23-18/h2-12H,13H2,1H3,(H,24,30)(H,25,31)
InChIKeyKYIGLLWYCALDML-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.33
Rot. Bonds6

About N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide

N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 1463796) has the molecular formula C21H18N8O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
PubChem CID1463796
Molecular FormulaC21H18N8O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC NameN-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C21H18N8O2/c1-14-6-8-15(9-7-14)24-19(30)13-29-27-20(26-28-29)16-4-2-3-5-17(16)25-21(31)18-12-22-10-11-23-18/h2-12H,13H2,1H3,(H,24,30)(H,25,31)
InChIKeyKYIGLLWYCALDML-UHFFFAOYSA-N
XLogP2.33
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1463812
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 648033
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (CID 1463796) is N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cnccn3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is KYIGLLWYCALDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O2/c1-14-6-8-15(9-7-14)24-19(30)13-29-27-20(26-28-29)16-4-2-3-5-17(16)25-21(31)18-12-22-10-11-23-18/h2-12H,13H2,1H3,(H,24,30)(H,25,31).
What are the key properties of N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).