2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide

C21H24N4O — CID 78878202

IUPAC2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2c1C
InChIInChI=1S/C21H24N4O/c1-14-15(2)23-19-8-6-16(12-18(14)19)21(26)24-20-9-7-17(13-22-20)25-10-4-3-5-11-25/h6-9,12-13,23H,3-5,10-11H2,1-2H3,(H,22,24,26)
InChIKeyJCCQBXLZCUAFJR-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.42
Rot. Bonds3

About 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide (PubChem CID 78878202) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide
PubChem CID78878202
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2c1C
InChIInChI=1S/C21H24N4O/c1-14-15(2)23-19-8-6-16(12-18(14)19)21(26)24-20-9-7-17(13-22-20)25-10-4-3-5-11-25/h6-9,12-13,23H,3-5,10-11H2,1-2H3,(H,22,24,26)
InChIKeyJCCQBXLZCUAFJR-UHFFFAOYSA-N
XLogP4.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.42
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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Related Compounds

4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 78878139
2-oxo-N-(5-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78878186
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
N-(5-pyrrolidin-1-yl-2-pyridinyl)thiophene-3-carboxamide
CID 32949158
3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 78878150
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide (CID 78878202) is 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide?
The InChIKey is JCCQBXLZCUAFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-15(2)23-19-8-6-16(12-18(14)19)21(26)24-20-9-7-17(13-22-20)25-10-4-3-5-11-25/h6-9,12-13,23H,3-5,10-11H2,1-2H3,(H,22,24,26).
What are the key properties of 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 78878202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).