(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide

C16H20N4O3 — CID 129000051

IUPAC(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C16H20N4O3/c1-20-13(5-8-19-20)14-12(6-9-23-14)15(21)18-10-11-4-3-7-17-16(11)22-2/h3-5,7-8,12,14H,6,9-10H2,1-2H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyYIIOLADVTINHPT-TZMCWYRMSA-N
MW316.36 g/mol
LogP1.22
Rot. Bonds5

About (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide

(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 129000051) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID129000051
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCOc1ncccc1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C16H20N4O3/c1-20-13(5-8-19-20)14-12(6-9-23-14)15(21)18-10-11-4-3-7-17-16(11)22-2/h3-5,7-8,12,14H,6,9-10H2,1-2H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyYIIOLADVTINHPT-TZMCWYRMSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide with MolForge

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Related Compounds

(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005917
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 64824935
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954
(2R,3R)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 128973125
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001573
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide
CID 129335251
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47160065
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128970664

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide (CID 129000051) is (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide is COc1ncccc1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C.
What is the InChIKey of (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is YIIOLADVTINHPT-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20-13(5-8-19-20)14-12(6-9-23-14)15(21)18-10-11-4-3-7-17-16(11)22-2/h3-5,7-8,12,14H,6,9-10H2,1-2H3,(H,18,21)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129000051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).