2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide

C16H20N4O3 — CID 128970664

IUPAC2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)n1
InChIInChI=1S/C16H20N4O3/c1-20-13(6-8-17-20)16-12(7-9-23-16)19-14(21)10-11-4-3-5-15(18-11)22-2/h3-6,8,12,16H,7,9-10H2,1-2H3,(H,19,21)/t12-,16-/m0/s1
InChIKeyDLDGUSCKYPUTOB-LRDDRELGSA-N
MW316.36 g/mol
LogP1.01
Rot. Bonds5

About 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide

2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide (PubChem CID 128970664) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
PubChem CID128970664
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)n1
InChIInChI=1S/C16H20N4O3/c1-20-13(6-8-17-20)16-12(7-9-23-16)19-14(21)10-11-4-3-5-15(18-11)22-2/h3-6,8,12,16H,7,9-10H2,1-2H3,(H,19,21)/t12-,16-/m0/s1
InChIKeyDLDGUSCKYPUTOB-LRDDRELGSA-N
XLogP1.01
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128986317
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807
3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
CID 167929245
6-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyridine-2-carboxamide
CID 128986477
N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-2-(6-ethoxy-2-pyridinyl)acetamide
CID 136585294
4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide
CID 128986254
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
3-(4-fluoro-3-methoxyphenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]prop-2-enamide
CID 126800394
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976560
(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976655
5-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128986488

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide (CID 128970664) is 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide is COc1cccc(CC(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The InChIKey is DLDGUSCKYPUTOB-LRDDRELGSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20-13(6-8-17-20)16-12(7-9-23-16)19-14(21)10-11-4-3-5-15(18-11)22-2/h3-6,8,12,16H,7,9-10H2,1-2H3,(H,19,21)/t12-,16-/m0/s1.
What are the key properties of 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 128970664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).