[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C21H34ClN5O — CID 56585261

IUPAC[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)C(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)N1CCN(C)CC1
InChIInChI=1S/C21H34ClN5O/c1-16(2)19(26-11-9-25(3)10-12-26)15-24-20-18(22)13-17(14-23-20)21(28)27-7-5-4-6-8-27/h13-14,16,19H,4-12,15H2,1-3H3,(H,23,24)
InChIKeyWVCQRCVRADKDIG-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.05
Rot. Bonds6

About [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56585261) has the molecular formula C21H34ClN5O and a molecular weight of 407.99 g/mol. Its IUPAC name is [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56585261
Molecular FormulaC21H34ClN5O
Molecular Weight407.99 g/mol
Exact Mass407.25
IUPAC Name[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)C(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)N1CCN(C)CC1
InChIInChI=1S/C21H34ClN5O/c1-16(2)19(26-11-9-25(3)10-12-26)15-24-20-18(22)13-17(14-23-20)21(28)27-7-5-4-6-8-27/h13-14,16,19H,4-12,15H2,1-3H3,(H,23,24)
InChIKeyWVCQRCVRADKDIG-UHFFFAOYSA-N
XLogP3.05
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 128945642
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
[5-chloro-6-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585111
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[5-chloro-6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294989

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 56585261) is [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is CC(C)C(CNc1ncc(C(=O)N2CCCCC2)cc1Cl)N1CCN(C)CC1.
What is the InChIKey of [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is WVCQRCVRADKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClN5O/c1-16(2)19(26-11-9-25(3)10-12-26)15-24-20-18(22)13-17(14-23-20)21(28)27-7-5-4-6-8-27/h13-14,16,19H,4-12,15H2,1-3H3,(H,23,24).
What are the key properties of [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 407.99 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56585261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).