(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide

C12H17N3O2 — CID 92632288

IUPAC(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
SMILESCc1cccnc1CNC(=O)[C@@H]1CNCCO1
InChIInChI=1S/C12H17N3O2/c1-9-3-2-4-14-10(9)7-15-12(16)11-8-13-5-6-17-11/h2-4,11,13H,5-8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyZAYFBRDYWWOETA-NSHDSACASA-N
MW235.29 g/mol
LogP-0.01
Rot. Bonds3

About (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide

(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide (PubChem CID 92632288) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
PubChem CID92632288
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
SMILESCc1cccnc1CNC(=O)[C@@H]1CNCCO1
InChIInChI=1S/C12H17N3O2/c1-9-3-2-4-14-10(9)7-15-12(16)11-8-13-5-6-17-11/h2-4,11,13H,5-8H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyZAYFBRDYWWOETA-NSHDSACASA-N
XLogP-0.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 103811683
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxamide
CID 107068180
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
N-[[1-(2-methylphenyl)cyclohexyl]methyl]morpholine-2-carboxamide
CID 119767062
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide (CID 92632288) is (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide is Cc1cccnc1CNC(=O)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide?
The InChIKey is ZAYFBRDYWWOETA-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-3-2-4-14-10(9)7-15-12(16)11-8-13-5-6-17-11/h2-4,11,13H,5-8H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide?
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92632288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).