5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

C18H21N7O2 — CID 90409929

IUPAC5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)C(C)(C)CNC3
InChIInChI=1S/C18H21N7O2/c1-18(2)9-21-6-10-8-25-16(23-14(10)18)13(15(19)24-25)17(26)22-11-7-20-5-4-12(11)27-3/h4-5,7-8,21H,6,9H2,1-3H3,(H2,19,24)(H,22,26)
InChIKeyPTXUXJCBOGSPGC-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.35
Rot. Bonds3

About 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide

5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (PubChem CID 90409929) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
PubChem CID90409929
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)C(C)(C)CNC3
InChIInChI=1S/C18H21N7O2/c1-18(2)9-21-6-10-8-25-16(23-14(10)18)13(15(19)24-25)17(26)22-11-7-20-5-4-12(11)27-3/h4-5,7-8,21H,6,9H2,1-3H3,(H2,19,24)(H,22,26)
InChIKeyPTXUXJCBOGSPGC-UHFFFAOYSA-N
XLogP1.35
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The IUPAC name of 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (CID 90409929) is 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is COc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)C(C)(C)CNC3.
What is the InChIKey of 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The InChIKey is PTXUXJCBOGSPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-18(2)9-21-6-10-8-25-16(23-14(10)18)13(15(19)24-25)17(26)22-11-7-20-5-4-12(11)27-3/h4-5,7-8,21H,6,9H2,1-3H3,(H2,19,24)(H,22,26).
What are the key properties of 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxy-3-pyridinyl)-13,13-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 90409929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).