(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide

C16H26N4O — CID 126446137

IUPAC(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cc(CNC(=O)[C@H](C)N2CCN(C)CC2)cnc1C
InChIInChI=1S/C16H26N4O/c1-12-9-15(10-17-13(12)2)11-18-16(21)14(3)20-7-5-19(4)6-8-20/h9-10,14H,5-8,11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyQARCEYCSTQTIMS-AWEZNQCLSA-N
MW290.41 g/mol
LogP0.95
Rot. Bonds4

About (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide

(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 126446137) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID126446137
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cc(CNC(=O)[C@H](C)N2CCN(C)CC2)cnc1C
InChIInChI=1S/C16H26N4O/c1-12-9-15(10-17-13(12)2)11-18-16(21)14(3)20-7-5-19(4)6-8-20/h9-10,14H,5-8,11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyQARCEYCSTQTIMS-AWEZNQCLSA-N
XLogP0.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 125166787
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 121499949
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97209190
(2R)-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445607
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129943
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958888
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25487651

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 126446137) is (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide is Cc1cc(CNC(=O)[C@H](C)N2CCN(C)CC2)cnc1C.
What is the InChIKey of (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is QARCEYCSTQTIMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-9-15(10-17-13(12)2)11-18-16(21)14(3)20-7-5-19(4)6-8-20/h9-10,14H,5-8,11H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide?
(2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 126446137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).