(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide

C11H14N2O3 — CID 94180635

IUPAC(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCc1ccncc1)[C@H]1COCCO1
InChIInChI=1S/C11H14N2O3/c14-11(10-8-15-5-6-16-10)13-7-9-1-3-12-4-2-9/h1-4,10H,5-8H2,(H,13,14)/t10-/m1/s1
InChIKeyHRNUPSAQMJVZIT-SNVBAGLBSA-N
MW222.24 g/mol
LogP0.11
Rot. Bonds3

About (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide

(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide (PubChem CID 94180635) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide
PubChem CID94180635
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCc1ccncc1)[C@H]1COCCO1
InChIInChI=1S/C11H14N2O3/c14-11(10-8-15-5-6-16-10)13-7-9-1-3-12-4-2-9/h1-4,10H,5-8H2,(H,13,14)/t10-/m1/s1
InChIKeyHRNUPSAQMJVZIT-SNVBAGLBSA-N
XLogP0.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(pyridin-3-ylmethyl)-1,4-dioxane-2-carboxamide
CID 39890239
5-[(1,4-dioxane-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81098748
N-[[3-(aminomethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 62797794
(2S)-N-[(5-methylthiophen-2-yl)methyl]-1,4-dioxane-2-carboxamide
CID 94200175
(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide
CID 125143390
(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 75461042
(2S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 94160517
5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 62799225
2-[[[(2R)-1,4-dioxane-2-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 129372490
N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 126842029

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide (CID 94180635) is (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide is O=C(NCc1ccncc1)[C@H]1COCCO1.
What is the InChIKey of (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide?
The InChIKey is HRNUPSAQMJVZIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(10-8-15-5-6-16-10)13-7-9-1-3-12-4-2-9/h1-4,10H,5-8H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide?
(2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(pyridin-4-ylmethyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 94180635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).