(2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide

C13H15ClN4O2 — CID 129488223

IUPAC(2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide
SMILESCc1nc(N2CCO[C@H](C)[C@H]2C(N)=O)c(Cl)cc1C#N
InChIInChI=1S/C13H15ClN4O2/c1-7-9(6-15)5-10(14)13(17-7)18-3-4-20-8(2)11(18)12(16)19/h5,8,11H,3-4H2,1-2H3,(H2,16,19)/t8-,11+/m1/s1
InChIKeyQMLDITZYQWDSMY-KCJUWKMLSA-N
MW294.74 g/mol
LogP0.99
Rot. Bonds2

About (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide (PubChem CID 129488223) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide
PubChem CID129488223
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name(2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide
SMILESCc1nc(N2CCO[C@H](C)[C@H]2C(N)=O)c(Cl)cc1C#N
InChIInChI=1S/C13H15ClN4O2/c1-7-9(6-15)5-10(14)13(17-7)18-3-4-20-8(2)11(18)12(16)19/h5,8,11H,3-4H2,1-2H3,(H2,16,19)/t8-,11+/m1/s1
InChIKeyQMLDITZYQWDSMY-KCJUWKMLSA-N
XLogP0.99
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977312
5-chloro-6-[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carbonitrile
CID 166236300
(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128987013
(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411
5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146525962
(2R,3S)-2-methyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholine-3-carboxamide
CID 128987044
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983412
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-chloropyridine-4-carbonitrile
CID 83076239
(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977309
6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide
CID 100901224
4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
CID 107545048
4-(4-cyanopyridazin-3-yl)morpholine-3-carboxamide
CID 83102200

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide (CID 129488223) is (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide is Cc1nc(N2CCO[C@H](C)[C@H]2C(N)=O)c(Cl)cc1C#N.
What is the InChIKey of (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is QMLDITZYQWDSMY-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7-9(6-15)5-10(14)13(17-7)18-3-4-20-8(2)11(18)12(16)19/h5,8,11H,3-4H2,1-2H3,(H2,16,19)/t8-,11+/m1/s1.
What are the key properties of (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(3-chloro-5-cyano-6-methyl-2-pyridinyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 129488223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).