4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide

C23H23N5O2 — CID 137414218

IUPAC4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide
SMILESCCn1cc(C2CCN(C=O)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C23H23N5O2/c1-2-28-14-20(17-6-9-27(15-29)10-7-17)19-12-18(3-4-22(19)28)26-23(30)21-11-16(13-24)5-8-25-21/h3-5,8,11-12,14-15,17H,2,6-7,9-10H2,1H3,(H,26,30)
InChIKeyZKXNSUWLIDBNKT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.52
Rot. Bonds5

About 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide

4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide (PubChem CID 137414218) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide
PubChem CID137414218
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide
SMILESCCn1cc(C2CCN(C=O)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C23H23N5O2/c1-2-28-14-20(17-6-9-27(15-29)10-7-17)19-12-18(3-4-22(19)28)26-23(30)21-11-16(13-24)5-8-25-21/h3-5,8,11-12,14-15,17H,2,6-7,9-10H2,1H3,(H,26,30)
InChIKeyZKXNSUWLIDBNKT-UHFFFAOYSA-N
XLogP3.52
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide (CID 137414218) is 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide is CCn1cc(C2CCN(C=O)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21.
What is the InChIKey of 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide?
The InChIKey is ZKXNSUWLIDBNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-2-28-14-20(17-6-9-27(15-29)10-7-17)19-12-18(3-4-22(19)28)26-23(30)21-11-16(13-24)5-8-25-21/h3-5,8,11-12,14-15,17H,2,6-7,9-10H2,1H3,(H,26,30).
What are the key properties of 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide?
4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-ethyl-3-(1-formylpiperidin-4-yl)indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 137414218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).