3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C21H27N5O2 — CID 47065917

IUPAC3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C21H27N5O2/c1-14-19-16(4-3-5-17(19)27)24-20(14)21(28)23-13-15-6-7-22-18(12-15)26-10-8-25(2)9-11-26/h6-7,12,24H,3-5,8-11,13H2,1-2H3,(H,23,28)
InChIKeyYUHQYWKJXPZCDE-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.92
Rot. Bonds4

About 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 47065917) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID47065917
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C21H27N5O2/c1-14-19-16(4-3-5-17(19)27)24-20(14)21(28)23-13-15-6-7-22-18(12-15)26-10-8-25(2)9-11-26/h6-7,12,24H,3-5,8-11,13H2,1-2H3,(H,23,28)
InChIKeyYUHQYWKJXPZCDE-UHFFFAOYSA-N
XLogP1.92
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55742599
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 47065929
1-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 131960881

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 47065917) is 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is YUHQYWKJXPZCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-19-16(4-3-5-17(19)27)24-20(14)21(28)23-13-15-6-7-22-18(12-15)26-10-8-25(2)9-11-26/h6-7,12,24H,3-5,8-11,13H2,1-2H3,(H,23,28).
What are the key properties of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 47065917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).