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

C18H21N7O2 — CID 78210256

IUPAC5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3
InChIInChI=1S/C18H21N7O2/c1-10(2)27-14-4-6-21-8-13(14)23-18(26)15-16(19)24-25-9-11-7-20-5-3-12(11)22-17(15)25/h4,6,8-10,20H,3,5,7H2,1-2H3,(H2,19,24)(H,23,26)
InChIKeyPRFIEFWNVIYODE-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.39
Rot. Bonds4

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

5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (PubChem CID 78210256) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-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-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
PubChem CID78210256
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3
InChIInChI=1S/C18H21N7O2/c1-10(2)27-14-4-6-21-8-13(14)23-18(26)15-16(19)24-25-9-11-7-20-5-3-12(11)22-17(15)25/h4,6,8-10,20H,3,5,7H2,1-2H3,(H2,19,24)(H,23,26)
InChIKeyPRFIEFWNVIYODE-UHFFFAOYSA-N
XLogP1.39
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.39
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-propan-2-yloxy-3-pyridinyl)-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-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (CID 78210256) is 5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-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-propan-2-yloxy-3-pyridinyl)-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-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is CC(C)Oc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCNC3.
What is the InChIKey of 5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The InChIKey is PRFIEFWNVIYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-10(2)27-14-4-6-21-8-13(14)23-18(26)15-16(19)24-25-9-11-7-20-5-3-12(11)22-17(15)25/h4,6,8-10,20H,3,5,7H2,1-2H3,(H2,19,24)(H,23,26).
What are the key properties of 5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-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 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-propan-2-yloxy-3-pyridinyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 78210256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).