1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one

C22H26N4O2 — CID 172660787

IUPAC1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCNCC1C
InChIInChI=1S/C22H26N4O2/c1-15-7-10-25(11-8-17-14-24-19-6-4-3-5-18(17)19)21(27)20(15)22(28)26-12-9-23-13-16(26)2/h3-7,10,14,16,23-24H,8-9,11-13H2,1-2H3
InChIKeyNIYQIJVPXDKZNA-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.31
Rot. Bonds4

About 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one

1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 172660787) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID172660787
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCNCC1C
InChIInChI=1S/C22H26N4O2/c1-15-7-10-25(11-8-17-14-24-19-6-4-3-5-18(17)19)21(27)20(15)22(28)26-12-9-23-13-16(26)2/h3-7,10,14,16,23-24H,8-9,11-13H2,1-2H3
InChIKeyNIYQIJVPXDKZNA-UHFFFAOYSA-N
XLogP2.31
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]piperidine-4-carbonitrile
CID 172667155
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
CID 172657082
7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172658963
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
CID 172659463
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
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-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172657411
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666932
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide
CID 172672931
N-(cyclopropylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172658576
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one (CID 172660787) is 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one is Cc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCNCC1C.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is NIYQIJVPXDKZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-7-10-25(11-8-17-14-24-19-6-4-3-5-18(17)19)21(27)20(15)22(28)26-12-9-23-13-16(26)2/h3-7,10,14,16,23-24H,8-9,11-13H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one?
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 172660787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).