2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide

C14H22N4OS — CID 75371060

IUPAC2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide
SMILESCSc1ccc(NC(=O)C(C)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H22N4OS/c1-11(18-8-6-17(2)7-9-18)14(19)16-12-4-5-13(20-3)15-10-12/h4-5,10-11H,6-9H2,1-3H3,(H,16,19)
InChIKeyQDAITRVKYJKCII-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide

2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide (PubChem CID 75371060) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide
PubChem CID75371060
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide
SMILESCSc1ccc(NC(=O)C(C)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H22N4OS/c1-11(18-8-6-17(2)7-9-18)14(19)16-12-4-5-13(20-3)15-10-12/h4-5,10-11H,6-9H2,1-3H3,(H,16,19)
InChIKeyQDAITRVKYJKCII-UHFFFAOYSA-N
XLogP1.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115
(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide
CID 97212842
N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 131921673
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)propanamide
CID 134698028
2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82795400
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide (CID 75371060) is 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide is CSc1ccc(NC(=O)C(C)N2CCN(C)CC2)cn1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide?
The InChIKey is QDAITRVKYJKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-11(18-8-6-17(2)7-9-18)14(19)16-12-4-5-13(20-3)15-10-12/h4-5,10-11H,6-9H2,1-3H3,(H,16,19).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide?
2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide has a molecular weight of 294.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide is sourced from PubChem (CID 75371060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).