N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide

C24H24N6O3 — CID 121265579

IUPACN-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-n3c4c(c5ncnc(N)c53)CCC4)cc2OC)cn1
InChIInChI=1S/C24H24N6O3/c1-32-19-11-15(30-18-5-3-4-16(18)22-23(30)24(25)28-13-27-22)7-8-17(19)29-20(31)10-14-6-9-21(33-2)26-12-14/h6-9,11-13H,3-5,10H2,1-2H3,(H,29,31)(H2,25,27,28)
InChIKeyLQAORSDZZNLZRV-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.08
Rot. Bonds6

About N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide

N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 121265579) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide
PubChem CID121265579
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-n3c4c(c5ncnc(N)c53)CCC4)cc2OC)cn1
InChIInChI=1S/C24H24N6O3/c1-32-19-11-15(30-18-5-3-4-16(18)22-23(30)24(25)28-13-27-22)7-8-17(19)29-20(31)10-14-6-9-21(33-2)26-12-14/h6-9,11-13H,3-5,10H2,1-2H3,(H,29,31)(H2,25,27,28)
InChIKeyLQAORSDZZNLZRV-UHFFFAOYSA-N
XLogP3.08
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide (CID 121265579) is N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(CC(=O)Nc2ccc(-n3c4c(c5ncnc(N)c53)CCC4)cc2OC)cn1.
What is the InChIKey of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is LQAORSDZZNLZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-32-19-11-15(30-18-5-3-4-16(18)22-23(30)24(25)28-13-27-22)7-8-17(19)29-20(31)10-14-6-9-21(33-2)26-12-14/h6-9,11-13H,3-5,10H2,1-2H3,(H,29,31)(H2,25,27,28).
What are the key properties of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide?
N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 444.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 121265579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).