3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide

C21H27N5O — CID 87004089

IUPAC3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c2ccccc21
InChIInChI=1S/C21H27N5O/c1-16-15-26(19-6-4-3-5-18(16)19)21(27)23-14-17-7-8-22-20(13-17)25-11-9-24(2)10-12-25/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,27)
InChIKeyVTIKKDMELNCPKK-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.67
Rot. Bonds3

About 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide

3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 87004089) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID87004089
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c2ccccc21
InChIInChI=1S/C21H27N5O/c1-16-15-26(19-6-4-3-5-18(16)19)21(27)23-14-17-7-8-22-20(13-17)25-11-9-24(2)10-12-25/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,27)
InChIKeyVTIKKDMELNCPKK-UHFFFAOYSA-N
XLogP2.67
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-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
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
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
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 86898973
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 78889575
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide (CID 87004089) is 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide is CC1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)c2ccccc21.
What is the InChIKey of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is VTIKKDMELNCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-15-26(19-6-4-3-5-18(16)19)21(27)23-14-17-7-8-22-20(13-17)25-11-9-24(2)10-12-25/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,27).
What are the key properties of 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide?
3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 87004089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).