2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide

C17H28N4O — CID 71988848

IUPAC2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CCC1CCCCN1C)CC(=O)NCc1cccnc1
InChIInChI=1S/C17H28N4O/c1-20(11-8-16-7-3-4-10-21(16)2)14-17(22)19-13-15-6-5-9-18-12-15/h5-6,9,12,16H,3-4,7-8,10-11,13-14H2,1-2H3,(H,19,22)
InChIKeyHXSBFFGKHMMQFR-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.50
Rot. Bonds7

About 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide

2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 71988848) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID71988848
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(CCC1CCCCN1C)CC(=O)NCc1cccnc1
InChIInChI=1S/C17H28N4O/c1-20(11-8-16-7-3-4-10-21(16)2)14-17(22)19-13-15-6-5-9-18-12-15/h5-6,9,12,16H,3-4,7-8,10-11,13-14H2,1-2H3,(H,19,22)
InChIKeyHXSBFFGKHMMQFR-UHFFFAOYSA-N
XLogP1.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide
CID 98878574
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
CID 78823735
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 99106879
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97078468
2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 75370672
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide (CID 71988848) is 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide is CN(CCC1CCCCN1C)CC(=O)NCc1cccnc1.
What is the InChIKey of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HXSBFFGKHMMQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(11-8-16-7-3-4-10-21(16)2)14-17(22)19-13-15-6-5-9-18-12-15/h5-6,9,12,16H,3-4,7-8,10-11,13-14H2,1-2H3,(H,19,22).
What are the key properties of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 71988848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).