N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide

C20H22N8O2 — CID 655675

IUPACN-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cn1
InChIInChI=1S/C20H22N8O2/c1-13-10-22-17(11-21-13)20(30)24-16-9-5-4-8-15(16)19-25-27-28(26-19)12-18(29)23-14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,23,29)(H,24,30)
InChIKeyCPMWDAOUNVPQGI-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide

N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 655675) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID655675
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cn1
InChIInChI=1S/C20H22N8O2/c1-13-10-22-17(11-21-13)20(30)24-16-9-5-4-8-15(16)19-25-27-28(26-19)12-18(29)23-14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,23,29)(H,24,30)
InChIKeyCPMWDAOUNVPQGI-UHFFFAOYSA-N
XLogP1.75
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide (CID 655675) is N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cn1.
What is the InChIKey of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is CPMWDAOUNVPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-13-10-22-17(11-21-13)20(30)24-16-9-5-4-8-15(16)19-25-27-28(26-19)12-18(29)23-14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide?
N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.75, 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-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 655675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).