N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H23N5OS — CID 86773887

IUPACN-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(NCC2CCN(CC(=O)N(C)c3nccs3)C2)nc1
InChIInChI=1S/C17H23N5OS/c1-13-3-4-15(19-9-13)20-10-14-5-7-22(11-14)12-16(23)21(2)17-18-6-8-24-17/h3-4,6,8-9,14H,5,7,10-12H2,1-2H3,(H,19,20)
InChIKeyGHKWRBSIEZCURC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.24
Rot. Bonds6

About N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86773887) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID86773887
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(NCC2CCN(CC(=O)N(C)c3nccs3)C2)nc1
InChIInChI=1S/C17H23N5OS/c1-13-3-4-15(19-9-13)20-10-14-5-7-22(11-14)12-16(23)21(2)17-18-6-8-24-17/h3-4,6,8-9,14H,5,7,10-12H2,1-2H3,(H,19,20)
InChIKeyGHKWRBSIEZCURC-UHFFFAOYSA-N
XLogP2.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 86773887) is N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(NCC2CCN(CC(=O)N(C)c3nccs3)C2)nc1.
What is the InChIKey of N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GHKWRBSIEZCURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-3-4-15(19-9-13)20-10-14-5-7-22(11-14)12-16(23)21(2)17-18-6-8-24-17/h3-4,6,8-9,14H,5,7,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86773887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).