(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide

C14H20N2O2 — CID 129349544

IUPAC(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cn1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-12(8-15-10)9-16-14(17)13-4-3-7-18-11(13)2/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyAMYHJUPPSDVQQG-AAEUAGOBSA-N
MW248.33 g/mol
LogP1.82
Rot. Bonds3

About (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide

(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide (PubChem CID 129349544) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
PubChem CID129349544
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cn1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-12(8-15-10)9-16-14(17)13-4-3-7-18-11(13)2/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyAMYHJUPPSDVQQG-AAEUAGOBSA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide
CID 129479570
(2R,3R)-2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]oxane-3-carboxamide
CID 129401715
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
(2S,3R)-N-[(4-aminopyrimidin-5-yl)methyl]-2-methyloxane-3-carboxamide
CID 129479034
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
CID 136519835
1-[(6-methyl-3-pyridinyl)methyl]-3-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97346210
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
2-methyl-N-(5-methyl-2-pyridinyl)oxane-3-carboxamide
CID 128999567
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 129399470

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide (CID 129349544) is (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cn1.
What is the InChIKey of (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide?
The InChIKey is AMYHJUPPSDVQQG-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-12(8-15-10)9-16-14(17)13-4-3-7-18-11(13)2/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide?
(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 129349544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).