N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

C22H20N6O2 — CID 59394153

IUPACN-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESCc1cncc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)c1
InChIInChI=1S/C22H20N6O2/c1-14-8-16(11-24-10-14)27-22(29)28-7-5-15-9-17(2-3-20(15)28)30-21-18-4-6-23-12-19(18)25-13-26-21/h2-3,5,7-11,13,23H,4,6,12H2,1H3,(H,27,29)
InChIKeyZVJXIMCXLQUCHK-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.65
Rot. Bonds3

About N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (PubChem CID 59394153) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
PubChem CID59394153
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESCc1cncc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)c1
InChIInChI=1S/C22H20N6O2/c1-14-8-16(11-24-10-14)27-22(29)28-7-5-15-9-17(2-3-20(15)28)30-21-18-4-6-23-12-19(18)25-13-26-21/h2-3,5,7-11,13,23H,4,6,12H2,1H3,(H,27,29)
InChIKeyZVJXIMCXLQUCHK-UHFFFAOYSA-N
XLogP3.65
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The IUPAC name of N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (CID 59394153) is N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is Cc1cncc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The InChIKey is ZVJXIMCXLQUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-8-16(11-24-10-14)27-22(29)28-7-5-15-9-17(2-3-20(15)28)30-21-18-4-6-23-12-19(18)25-13-26-21/h2-3,5,7-11,13,23H,4,6,12H2,1H3,(H,27,29).
What are the key properties of N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is sourced from PubChem (CID 59394153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).