N-[1-[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]ethyl]acetamide

C19H21N7O — CID 57391445

IUPACN-[1-[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]ethyl]acetamide
SMILESCNc1nc2[nH]c(-c3cccc(C(C)NC(C)=O)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-10(22-11(2)27)13-6-5-7-14(23-13)15-8-12-17-16(21-9-26(17)4)19(20-3)25-18(12)24-15/h5-10H,1-4H3,(H,22,27)(H2,20,24,25)
InChIKeyHJNOHXBEFNKEHY-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.75
Rot. Bonds4

About N-[1-[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]ethyl]acetamide

N-[1-[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]ethyl]acetamide (PubChem CID 57391445) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[1-[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]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[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]ethyl]acetamide
PubChem CID57391445
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[1-[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]ethyl]acetamide
SMILESCNc1nc2[nH]c(-c3cccc(C(C)NC(C)=O)n3)cc2c2c1ncn2C
InChIInChI=1S/C19H21N7O/c1-10(22-11(2)27)13-6-5-7-14(23-13)15-8-12-17-16(21-9-26(17)4)19(20-3)25-18(12)24-15/h5-10H,1-4H3,(H,22,27)(H2,20,24,25)
InChIKeyHJNOHXBEFNKEHY-UHFFFAOYSA-N
XLogP2.75
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[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]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[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]ethyl]acetamide?
The IUPAC name of N-[1-[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]ethyl]acetamide (CID 57391445) is N-[1-[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]ethyl]acetamide.
What is the SMILES notation for N-[1-[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]ethyl]acetamide?
The canonical SMILES for N-[1-[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]ethyl]acetamide is CNc1nc2[nH]c(-c3cccc(C(C)NC(C)=O)n3)cc2c2c1ncn2C.
What is the InChIKey of N-[1-[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]ethyl]acetamide?
The InChIKey is HJNOHXBEFNKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-10(22-11(2)27)13-6-5-7-14(23-13)15-8-12-17-16(21-9-26(17)4)19(20-3)25-18(12)24-15/h5-10H,1-4H3,(H,22,27)(H2,20,24,25).
What are the key properties of N-[1-[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]ethyl]acetamide?
N-[1-[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]ethyl]acetamide has a molecular weight of 363.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[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]ethyl]acetamide is sourced from PubChem (CID 57391445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).