2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

C20H22N4O — CID 155948642

IUPAC2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N4O/c1-21-20(25)16-6-4-10-22-19(16)24-11-8-14(9-12-24)17-13-23-18-7-3-2-5-15(17)18/h2-7,10,13-14,23H,8-9,11-12H2,1H3,(H,21,25)
InChIKeyFESBIYDZSZLYFI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.31
Rot. Bonds3

About 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 155948642) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID155948642
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N4O/c1-21-20(25)16-6-4-10-22-19(16)24-11-8-14(9-12-24)17-13-23-18-7-3-2-5-15(17)18/h2-7,10,13-14,23H,8-9,11-12H2,1H3,(H,21,25)
InChIKeyFESBIYDZSZLYFI-UHFFFAOYSA-N
XLogP3.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 134036774
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 24646101
propan-2-yl 2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468602
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 166233118
4-[(E)-3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002182
N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide
CID 66801936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 155948642) is 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is FESBIYDZSZLYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-21-20(25)16-6-4-10-22-19(16)24-11-8-14(9-12-24)17-13-23-18-7-3-2-5-15(17)18/h2-7,10,13-14,23H,8-9,11-12H2,1H3,(H,21,25).
What are the key properties of 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155948642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).