ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

C24H35N5O — CID 91005889

IUPACethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCC.CC.CNc1cccnc1N1CCN(C(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C20H23N5O.2C2H6/c1-21-16-7-5-9-22-19(16)24-10-12-25(13-11-24)20(26)18-14-15-6-3-4-8-17(15)23(18)2;2*1-2/h3-9,14,21H,10-13H2,1-2H3;2*1-2H3
InChIKeyLMLKQCHMIYKFFB-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.63
Rot. Bonds3

About ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 91005889) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Nameethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID91005889
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Nameethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCC.CC.CNc1cccnc1N1CCN(C(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C20H23N5O.2C2H6/c1-21-16-7-5-9-22-19(16)24-10-12-25(13-11-24)20(26)18-14-15-6-3-4-8-17(15)23(18)2;2*1-2/h3-9,14,21H,10-13H2,1-2H3;2*1-2H3
InChIKeyLMLKQCHMIYKFFB-UHFFFAOYSA-N
XLogP4.63
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 46199909
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 164547017
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone
CID 86818532
1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide
CID 55873164
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (CID 91005889) is ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is CC.CC.CNc1cccnc1N1CCN(C(=O)c2cc3ccccc3n2C)CC1.
What is the InChIKey of ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is LMLKQCHMIYKFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.2C2H6/c1-21-16-7-5-9-22-19(16)24-10-12-25(13-11-24)20(26)18-14-15-6-3-4-8-17(15)23(18)2;2*1-2/h3-9,14,21H,10-13H2,1-2H3;2*1-2H3.
What are the key properties of ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 409.58 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 91005889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).