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]pyrazine-2-carboxamide

C21H19N9O — CID 57394933

IUPACN-[[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]pyrazine-2-carboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)c4cnccn4)n3)cc2c2c1ncn2C
InChIInChI=1S/C21H19N9O/c1-22-20-17-18(30(2)11-26-17)13-8-15(28-19(13)29-20)14-5-3-4-12(27-14)9-25-21(31)16-10-23-6-7-24-16/h3-8,10-11H,9H2,1-2H3,(H,25,31)(H2,22,28,29)
InChIKeyOZSNGFXNUCDTGS-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.27
Rot. Bonds5

About 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]pyrazine-2-carboxamide

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]pyrazine-2-carboxamide (PubChem CID 57394933) has the molecular formula C21H19N9O and a molecular weight of 413.45 g/mol. Its IUPAC name is 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]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[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]pyrazine-2-carboxamide
PubChem CID57394933
Molecular FormulaC21H19N9O
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC NameN-[[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]pyrazine-2-carboxamide
SMILESCNc1nc2[nH]c(-c3cccc(CNC(=O)c4cnccn4)n3)cc2c2c1ncn2C
InChIInChI=1S/C21H19N9O/c1-22-20-17-18(30(2)11-26-17)13-8-15(28-19(13)29-20)14-5-3-4-12(27-14)9-25-21(31)16-10-23-6-7-24-16/h3-8,10-11H,9H2,1-2H3,(H,25,31)(H2,22,28,29)
InChIKeyOZSNGFXNUCDTGS-UHFFFAOYSA-N
XLogP2.27
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]pyrazine-2-carboxamide?
The IUPAC name of 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]pyrazine-2-carboxamide (CID 57394933) is 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]pyrazine-2-carboxamide.
What is the SMILES notation for 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]pyrazine-2-carboxamide?
The canonical SMILES for 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]pyrazine-2-carboxamide is CNc1nc2[nH]c(-c3cccc(CNC(=O)c4cnccn4)n3)cc2c2c1ncn2C.
What is the InChIKey of 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]pyrazine-2-carboxamide?
The InChIKey is OZSNGFXNUCDTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O/c1-22-20-17-18(30(2)11-26-17)13-8-15(28-19(13)29-20)14-5-3-4-12(27-14)9-25-21(31)16-10-23-6-7-24-16/h3-8,10-11H,9H2,1-2H3,(H,25,31)(H2,22,28,29).
What are the key properties of 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]pyrazine-2-carboxamide?
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]pyrazine-2-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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]pyrazine-2-carboxamide is sourced from PubChem (CID 57394933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).