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

C18H19N7O — CID 57396689

IUPACN-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide
SMILESCNc1nc2[nH]c(-c3cc(CNC(C)=O)ccn3)cc2c2c1ncn2C
InChIInChI=1S/C18H19N7O/c1-10(26)21-8-11-4-5-20-13(6-11)14-7-12-16-15(22-9-25(16)3)18(19-2)24-17(12)23-14/h4-7,9H,8H2,1-3H3,(H,21,26)(H2,19,23,24)
InChIKeyLREWJGGYTDMQIN-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.19
Rot. Bonds4

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

N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide (PubChem CID 57396689) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide
PubChem CID57396689
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide
SMILESCNc1nc2[nH]c(-c3cc(CNC(C)=O)ccn3)cc2c2c1ncn2C
InChIInChI=1S/C18H19N7O/c1-10(26)21-8-11-4-5-20-13(6-11)14-7-12-16-15(22-9-25(16)3)18(19-2)24-17(12)23-14/h4-7,9H,8H2,1-3H3,(H,21,26)(H2,19,23,24)
InChIKeyLREWJGGYTDMQIN-UHFFFAOYSA-N
XLogP2.19
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide (CID 57396689) is N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide is CNc1nc2[nH]c(-c3cc(CNC(C)=O)ccn3)cc2c2c1ncn2C.
What is the InChIKey of N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide?
The InChIKey is LREWJGGYTDMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-10(26)21-8-11-4-5-20-13(6-11)14-7-12-16-15(22-9-25(16)3)18(19-2)24-17(12)23-14/h4-7,9H,8H2,1-3H3,(H,21,26)(H2,19,23,24).
What are the key properties of N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide?
N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide has a molecular weight of 349.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 57396689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).