(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

C16H21N5O2 — CID 128987419

IUPAC(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)nnc1C
InChIInChI=1S/C16H21N5O2/c1-10-9-14(20-19-11(10)2)18-16(22)12-5-4-8-23-15(12)13-6-7-17-21(13)3/h6-7,9,12,15H,4-5,8H2,1-3H3,(H,18,20,22)/t12-,15-/m1/s1
InChIKeyYDDSZRPVAABXTK-IUODEOHRSA-N
MW315.38 g/mol
LogP1.93
Rot. Bonds3

About (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (PubChem CID 128987419) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
PubChem CID128987419
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)nnc1C
InChIInChI=1S/C16H21N5O2/c1-10-9-14(20-19-11(10)2)18-16(22)12-5-4-8-23-15(12)13-6-7-17-21(13)3/h6-7,9,12,15H,4-5,8H2,1-3H3,(H,18,20,22)/t12-,15-/m1/s1
InChIKeyYDDSZRPVAABXTK-IUODEOHRSA-N
XLogP1.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128986031
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985765
(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)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128984992
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide
CID 129335251
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954
[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 128986007
(2R,3R)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 128973125
5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (CID 128987419) is (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)nnc1C.
What is the InChIKey of (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The InChIKey is YDDSZRPVAABXTK-IUODEOHRSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-9-14(20-19-11(10)2)18-16(22)12-5-4-8-23-15(12)13-6-7-17-21(13)3/h6-7,9,12,15H,4-5,8H2,1-3H3,(H,18,20,22)/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 128987419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).