2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide

C15H23N3OS — CID 99106879

IUPAC2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCS[C@@H]1CCC[C@H]1N(C)CC(=O)NCc1cccnc1
InChIInChI=1S/C15H23N3OS/c1-18(13-6-3-7-14(13)20-2)11-15(19)17-10-12-5-4-8-16-9-12/h4-5,8-9,13-14H,3,6-7,10-11H2,1-2H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyDWXKTPNKHXATGG-ZIAGYGMSSA-N
MW293.44 g/mol
LogP1.91
Rot. Bonds6

About 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide

2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 99106879) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID99106879
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCS[C@@H]1CCC[C@H]1N(C)CC(=O)NCc1cccnc1
InChIInChI=1S/C15H23N3OS/c1-18(13-6-3-7-14(13)20-2)11-15(19)17-10-12-5-4-8-16-9-12/h4-5,8-9,13-14H,3,6-7,10-11H2,1-2H3,(H,17,19)/t13-,14-/m1/s1
InChIKeyDWXKTPNKHXATGG-ZIAGYGMSSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.91
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-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 71988848
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 42764015
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide (CID 99106879) is 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide is CS[C@@H]1CCC[C@H]1N(C)CC(=O)NCc1cccnc1.
What is the InChIKey of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DWXKTPNKHXATGG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-18(13-6-3-7-14(13)20-2)11-15(19)17-10-12-5-4-8-16-9-12/h4-5,8-9,13-14H,3,6-7,10-11H2,1-2H3,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R,2R)-2-methylsulfanylcyclopentyl]amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 99106879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).