6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide

C23H19N9O2 — CID 139232362

IUPAC6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide
SMILESCc1cc(C)c2c(n1)nn1c(N)c(C(=O)Nc3nc(C)c(C)c(-c4ccco4)c3C#N)nnc21
InChIInChI=1S/C23H19N9O2/c1-10-8-11(2)26-21-16(10)22-30-29-18(19(25)32(22)31-21)23(33)28-20-14(9-24)17(12(3)13(4)27-20)15-6-5-7-34-15/h5-8H,25H2,1-4H3,(H,27,28,33)
InChIKeyGVERHNRVYIYVMP-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.27
Rot. Bonds3

About 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide

6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide (PubChem CID 139232362) has the molecular formula C23H19N9O2 and a molecular weight of 453.47 g/mol. Its IUPAC name is 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide
PubChem CID139232362
Molecular FormulaC23H19N9O2
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Name6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide
SMILESCc1cc(C)c2c(n1)nn1c(N)c(C(=O)Nc3nc(C)c(C)c(-c4ccco4)c3C#N)nnc21
InChIInChI=1S/C23H19N9O2/c1-10-8-11(2)26-21-16(10)22-30-29-18(19(25)32(22)31-21)23(33)28-20-14(9-24)17(12(3)13(4)27-20)15-6-5-7-34-15/h5-8H,25H2,1-4H3,(H,27,28,33)
InChIKeyGVERHNRVYIYVMP-UHFFFAOYSA-N
XLogP3.27
TPSA160.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
The IUPAC name of 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide (CID 139232362) is 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide.
What is the SMILES notation for 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
The canonical SMILES for 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide is Cc1cc(C)c2c(n1)nn1c(N)c(C(=O)Nc3nc(C)c(C)c(-c4ccco4)c3C#N)nnc21.
What is the InChIKey of 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
The InChIKey is GVERHNRVYIYVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N9O2/c1-10-8-11(2)26-21-16(10)22-30-29-18(19(25)32(22)31-21)23(33)28-20-14(9-24)17(12(3)13(4)27-20)15-6-5-7-34-15/h5-8H,25H2,1-4H3,(H,27,28,33).
What are the key properties of 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide is sourced from PubChem (CID 139232362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).