(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide

C14H21N3O2 — CID 129400783

IUPAC(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(N(C)C)cn1
InChIInChI=1S/C14H21N3O2/c1-10-12(5-4-8-19-10)14(18)16-13-7-6-11(9-15-13)17(2)3/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,15,16,18)/t10-,12-/m0/s1
InChIKeyKZHCACJUWOUWBE-JQWIXIFHSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds3

About (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide

(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide (PubChem CID 129400783) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
PubChem CID129400783
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(N(C)C)cn1
InChIInChI=1S/C14H21N3O2/c1-10-12(5-4-8-19-10)14(18)16-13-7-6-11(9-15-13)17(2)3/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,15,16,18)/t10-,12-/m0/s1
InChIKeyKZHCACJUWOUWBE-JQWIXIFHSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide
CID 129000728
2-methyl-N-(5-methyl-2-pyridinyl)oxane-3-carboxamide
CID 128999567
(2R,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120940037
N-[5-(dimethylamino)-2-pyridinyl]-1-(oxolane-2-carbonyl)piperidine-2-carboxamide
CID 71878322
(2R,3R)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95156221
N-[5-[butyl(methyl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030509
1-acetyl-N-[5-(dimethylamino)-2-pyridinyl]piperidine-2-carboxamide
CID 167862943
N-[5-(dimethylamino)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119863150
N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119863170
N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-2-methyloxane-3-carboxamide
CID 154755598
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 52532720

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide (CID 129400783) is (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide is C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(N(C)C)cn1.
What is the InChIKey of (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
The InChIKey is KZHCACJUWOUWBE-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-12(5-4-8-19-10)14(18)16-13-7-6-11(9-15-13)17(2)3/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,15,16,18)/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide?
(2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methyloxane-3-carboxamide is sourced from PubChem (CID 129400783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).