N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C17H25N3O3 — CID 129006133

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2=C(C)OCCC2)cn1
InChIInChI=1S/C17H25N3O3/c1-3-20-11-13(10-18-20)16-15(7-5-9-23-16)19-17(21)14-6-4-8-22-12(14)2/h10-11,15-16H,3-9H2,1-2H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyPTGUGTINCMKYEF-JKSUJKDBSA-N
MW319.41 g/mol
LogP2.32
Rot. Bonds4

About N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 129006133) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID129006133
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2=C(C)OCCC2)cn1
InChIInChI=1S/C17H25N3O3/c1-3-20-11-13(10-18-20)16-15(7-5-9-23-16)19-17(21)14-6-4-8-22-12(14)2/h10-11,15-16H,3-9H2,1-2H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyPTGUGTINCMKYEF-JKSUJKDBSA-N
XLogP2.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 129006133) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2=C(C)OCCC2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is PTGUGTINCMKYEF-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-20-11-13(10-18-20)16-15(7-5-9-23-16)19-17(21)14-6-4-8-22-12(14)2/h10-11,15-16H,3-9H2,1-2H3,(H,19,21)/t15-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 129006133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).