N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide

C25H25N3O4 — CID 46872986

IUPACN-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12
InChIInChI=1S/C25H25N3O4/c1-15-22(31-18-9-11-28(2)12-10-18)8-7-17-14-21(25(30)32-23(15)17)27-24(29)20-13-16-5-3-4-6-19(16)26-20/h3-8,13-14,18,26H,9-12H2,1-2H3,(H,27,29)
InChIKeyIYAVNIWKISYUQQ-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.31
Rot. Bonds4

About N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide

N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide (PubChem CID 46872986) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide
PubChem CID46872986
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12
InChIInChI=1S/C25H25N3O4/c1-15-22(31-18-9-11-28(2)12-10-18)8-7-17-14-21(25(30)32-23(15)17)27-24(29)20-13-16-5-3-4-6-19(16)26-20/h3-8,13-14,18,26H,9-12H2,1-2H3,(H,27,29)
InChIKeyIYAVNIWKISYUQQ-UHFFFAOYSA-N
XLogP4.31
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide (CID 46872986) is N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide is Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)c3cc4ccccc4[nH]3)c(=O)oc12.
What is the InChIKey of N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide?
The InChIKey is IYAVNIWKISYUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-15-22(31-18-9-11-28(2)12-10-18)8-7-17-14-21(25(30)32-23(15)17)27-24(29)20-13-16-5-3-4-6-19(16)26-20/h3-8,13-14,18,26H,9-12H2,1-2H3,(H,27,29).
What are the key properties of N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide?
N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46872986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).