N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

C23H28N4O2 — CID 172666932

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H28N4O2/c1-16-9-12-27(15-17-5-4-10-24-13-17)23(29)21(16)22(28)25-11-8-18-14-26-20-7-3-2-6-19(18)20/h2-3,6-7,9,12,14,17,24,26H,4-5,8,10-11,13,15H2,1H3,(H,25,28)
InChIKeyXMYYJXGGCWADKB-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172666932) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172666932
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H28N4O2/c1-16-9-12-27(15-17-5-4-10-24-13-17)23(29)21(16)22(28)25-11-8-18-14-26-20-7-3-2-6-19(18)20/h2-3,6-7,9,12,14,17,24,26H,4-5,8,10-11,13,15H2,1H3,(H,25,28)
InChIKeyXMYYJXGGCWADKB-UHFFFAOYSA-N
XLogP2.61
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172657411
N-[[4-(hydroxymethyl)phenyl]methyl]-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 175641174
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172910090
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
CID 172660787
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172663999
4-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172673386

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172666932) is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XMYYJXGGCWADKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-9-12-27(15-17-5-4-10-24-13-17)23(29)21(16)22(28)25-11-8-18-14-26-20-7-3-2-6-19(18)20/h2-3,6-7,9,12,14,17,24,26H,4-5,8,10-11,13,15H2,1H3,(H,25,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172666932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).