N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide

C22H20N8O — CID 67526813

IUPACN-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)c4cnccn4)c3)cc2c2c1ncn2C
InChIInChI=1S/C22H20N8O/c1-23-21-18-19(30(2)12-27-18)15-9-16(28-20(15)29-21)14-5-3-4-13(8-14)10-26-22(31)17-11-24-6-7-25-17/h3-9,11-12H,10H2,1-2H3,(H,26,31)(H2,23,28,29)
InChIKeyZLNDECYDEDTZPU-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.88
Rot. Bonds5

About N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide

N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 67526813) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID67526813
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)c4cnccn4)c3)cc2c2c1ncn2C
InChIInChI=1S/C22H20N8O/c1-23-21-18-19(30(2)12-27-18)15-9-16(28-20(15)29-21)14-5-3-4-13(8-14)10-26-22(31)17-11-24-6-7-25-17/h3-9,11-12H,10H2,1-2H3,(H,26,31)(H2,23,28,29)
InChIKeyZLNDECYDEDTZPU-UHFFFAOYSA-N
XLogP2.88
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]thiadiazole-4-carboxamide
CID 45268050
2-amino-2-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]propanamide
CID 67526928
1-tert-butyl-3-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]urea
CID 67527446
1-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]-3-phenylurea
CID 67527495
[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl N-(2-methoxyethyl)carbamate
CID 67525812
N-methyl-N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]cyclopropanecarboxamide
CID 67527040
[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 68687718
[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl-(5-methyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68690305
11-(3-bromophenyl)-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine;ethane
CID 143329185
N-[[6-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-2-pyridinyl]methyl]acetamide
CID 57391444
[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 67526812
11-(4-methoxyphenyl)-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
CID 67526983

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide (CID 67526813) is N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide is CNc1nc2[nH]c(-c3cccc(CNC(=O)c4cnccn4)c3)cc2c2c1ncn2C.
What is the InChIKey of N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is ZLNDECYDEDTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-23-21-18-19(30(2)12-27-18)15-9-16(28-20(15)29-21)14-5-3-4-13(8-14)10-26-22(31)17-11-24-6-7-25-17/h3-9,11-12H,10H2,1-2H3,(H,26,31)(H2,23,28,29).
What are the key properties of N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide?
N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 67526813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).