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

C21H25N5O — CID 29029683

IUPAC1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C21H25N5O/c1-24-10-12-26(13-11-24)20-17(7-5-9-22-20)15-23-21(27)19-14-16-6-3-4-8-18(16)25(19)2/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)
InChIKeyIPNHGGGFVBJNLC-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.26
Rot. Bonds4

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

1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide (PubChem CID 29029683) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
PubChem CID29029683
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C21H25N5O/c1-24-10-12-26(13-11-24)20-17(7-5-9-22-20)15-23-21(27)19-14-16-6-3-4-8-18(16)25(19)2/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)
InChIKeyIPNHGGGFVBJNLC-UHFFFAOYSA-N
XLogP2.26
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 56755377
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119902780
ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 91005889
1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide
CID 55873164
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide (CID 29029683) is 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide is CN1CCN(c2ncccc2CNC(=O)c2cc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide?
The InChIKey is IPNHGGGFVBJNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-24-10-12-26(13-11-24)20-17(7-5-9-22-20)15-23-21(27)19-14-16-6-3-4-8-18(16)25(19)2/h3-9,14H,10-13,15H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide?
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 29029683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).