2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide

C18H24N4O3S — CID 91773390

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)Cc1cccnc1
InChIInChI=1S/C18H24N4O3S/c1-22(8-14-3-2-5-19-7-14)9-18(23)21-16-4-6-24-11-17(16)25-10-15-12-26-13-20-15/h2-3,5,7,12-13,16-17H,4,6,8-11H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyPZGIPHUJNNLJIV-IAGOWNOFSA-N
MW376.48 g/mol
LogP1.46
Rot. Bonds8

About 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide

2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide (PubChem CID 91773390) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
PubChem CID91773390
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)Cc1cccnc1
InChIInChI=1S/C18H24N4O3S/c1-22(8-14-3-2-5-19-7-14)9-18(23)21-16-4-6-24-11-17(16)25-10-15-12-26-13-20-15/h2-3,5,7,12-13,16-17H,4,6,8-11H2,1H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyPZGIPHUJNNLJIV-IAGOWNOFSA-N
XLogP1.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide (CID 91773390) is 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide is CN(CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)Cc1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
The InChIKey is PZGIPHUJNNLJIV-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-22(8-14-3-2-5-19-7-14)9-18(23)21-16-4-6-24-11-17(16)25-10-15-12-26-13-20-15/h2-3,5,7,12-13,16-17H,4,6,8-11H2,1H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide?
2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 91773390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).