1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

C21H24N4O — CID 3000162

IUPAC1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H24N4O/c1-14-19(16-6-2-3-7-17(16)24-14)20(18-8-4-5-11-23-18)25-12-9-15(10-13-25)21(22)26/h2-8,11,15,20,24H,9-10,12-13H2,1H3,(H2,22,26)
InChIKeyFMNVUAXKHPGQSN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 3000162) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
PubChem CID3000162
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H24N4O/c1-14-19(16-6-2-3-7-17(16)24-14)20(18-8-4-5-11-23-18)25-12-9-15(10-13-25)21(22)26/h2-8,11,15,20,24H,9-10,12-13H2,1H3,(H2,22,26)
InChIKeyFMNVUAXKHPGQSN-UHFFFAOYSA-N
XLogP3.16
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (CID 3000162) is 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is FMNVUAXKHPGQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-19(16-6-2-3-7-17(16)24-14)20(18-8-4-5-11-23-18)25-12-9-15(10-13-25)21(22)26/h2-8,11,15,20,24H,9-10,12-13H2,1H3,(H2,22,26).
What are the key properties of 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3000162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).