N-methyl-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

C19H21N7O — CID 57394932

IUPACN-methyl-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
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(C)=O)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-11(27)25(3)9-12-6-5-7-14(22-12)15-8-13-17-16(21-10-26(17)4)19(20-2)24-18(13)23-15/h5-8,10H,9H2,1-4H3,(H2,20,23,24)
InChIKeyDKKPLEUNYSABPM-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-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

N-methyl-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 (PubChem CID 57394932) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-methyl-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.

Molecular Properties

Compound NameN-methyl-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
PubChem CID57394932
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-methyl-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
SMILESCNc1nc2[nH]c(-c3cccc(CN(C)C(C)=O)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-11(27)25(3)9-12-6-5-7-14(22-12)15-8-13-17-16(21-10-26(17)4)19(20-2)24-18(13)23-15/h5-8,10H,9H2,1-4H3,(H2,20,23,24)
InChIKeyDKKPLEUNYSABPM-UHFFFAOYSA-N
XLogP2.53
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-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?
The IUPAC name of N-methyl-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 57394932) is N-methyl-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.
What is the SMILES notation for N-methyl-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?
The canonical SMILES for N-methyl-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 is CNc1nc2[nH]c(-c3cccc(CN(C)C(C)=O)n3)cc2c2c1ncn2C.
What is the InChIKey of N-methyl-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?
The InChIKey is DKKPLEUNYSABPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-11(27)25(3)9-12-6-5-7-14(22-12)15-8-13-17-16(21-10-26(17)4)19(20-2)24-18(13)23-15/h5-8,10H,9H2,1-4H3,(H2,20,23,24).
What are the key properties of N-methyl-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?
N-methyl-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 has a molecular weight of 363.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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 is sourced from PubChem (CID 57394932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).