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

C18H20N8O2 — CID 1081043

IUPACN-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C18H20N8O2/c1-18(2,3)22-15(27)11-26-24-16(23-25-26)12-6-4-5-7-13(12)21-17(28)14-10-19-8-9-20-14/h4-10H,11H2,1-3H3,(H,21,28)(H,22,27)
InChIKeySYSJWYPCBXZOIS-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.30
Rot. Bonds5

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

N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 1081043) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
PubChem CID1081043
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C18H20N8O2/c1-18(2,3)22-15(27)11-26-24-16(23-25-26)12-6-4-5-7-13(12)21-17(28)14-10-19-8-9-20-14/h4-10H,11H2,1-3H3,(H,21,28)(H,22,27)
InChIKeySYSJWYPCBXZOIS-UHFFFAOYSA-N
XLogP1.30
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(4-Methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide
CID 6483911
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
US10344025, Example 541
CID 118640479
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 649335
1-(1-p-Tolyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 650396
N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide
CID 655675
Pyrazine-2-carboxylic acid [2-(2-carbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 858281
N-Tert-butyl-2-{2-[5-(2-fluorophenyl)-1,2,3,4-tetrazol-2-YL]-N-(quinolin-3-YL)acetamido}butanamide
CID 3178730
5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3240831
N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrazine-2-carboxamide
CID 3287831
N-(1,3-diphenyl-1H-pyrazol-5-yl)pyrazine-2-carboxamide
CID 11382254

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide (CID 1081043) is N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1.
What is the InChIKey of N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is SYSJWYPCBXZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-18(2,3)22-15(27)11-26-24-16(23-25-26)12-6-4-5-7-13(12)21-17(28)14-10-19-8-9-20-14/h4-10H,11H2,1-3H3,(H,21,28)(H,22,27).
What are the key properties of N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide?
N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(tert-butylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1081043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).