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

C19H23N7O2 — CID 90409230

IUPAC5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCN(C(C)C)C3
InChIInChI=1S/C19H23N7O2/c1-11(2)25-7-5-13-12(9-25)10-26-18(22-13)16(17(20)24-26)19(27)23-14-8-21-6-4-15(14)28-3/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,20,24)(H,23,27)
InChIKeyXINNCZGGQBPISL-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.73
Rot. Bonds4

About 5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-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)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (PubChem CID 90409230) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-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)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
PubChem CID90409230
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide
SMILESCOc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCN(C(C)C)C3
InChIInChI=1S/C19H23N7O2/c1-11(2)25-7-5-13-12(9-25)10-26-18(22-13)16(17(20)24-26)19(27)23-14-8-21-6-4-15(14)28-3/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,20,24)(H,23,27)
InChIKeyXINNCZGGQBPISL-UHFFFAOYSA-N
XLogP1.73
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-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)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide (CID 90409230) is 5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-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)-11-propan-2-yl-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)-11-propan-2-yl-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)CCN(C(C)C)C3.
What is the InChIKey of 5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide?
The InChIKey is XINNCZGGQBPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-11(2)25-7-5-13-12(9-25)10-26-18(22-13)16(17(20)24-26)19(27)23-14-8-21-6-4-15(14)28-3/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,20,24)(H,23,27).
What are the key properties of 5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-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)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxy-3-pyridinyl)-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 90409230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).