N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

C22H20N6O3 — CID 140671794

IUPACN-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)Nc2ccnc(C(N)=O)c2)O1
InChIInChI=1S/C22H20N6O3/c1-13-11-28(18-5-4-14(10-23)20-16(18)3-2-7-26-20)12-19(31-13)22(30)27-15-6-8-25-17(9-15)21(24)29/h2-9,13,19H,11-12H2,1H3,(H2,24,29)(H,25,27,30)
InChIKeyLZAVYSHLOPFJFP-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.83
Rot. Bonds4

About N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (PubChem CID 140671794) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
PubChem CID140671794
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)Nc2ccnc(C(N)=O)c2)O1
InChIInChI=1S/C22H20N6O3/c1-13-11-28(18-5-4-14(10-23)20-16(18)3-2-7-26-20)12-19(31-13)22(30)27-15-6-8-25-17(9-15)21(24)29/h2-9,13,19H,11-12H2,1H3,(H2,24,29)(H,25,27,30)
InChIKeyLZAVYSHLOPFJFP-UHFFFAOYSA-N
XLogP1.83
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
(6R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 137395366
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 118006489
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
CID 140671765
5-[(2R,6R)-2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007214
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide
CID 118007199
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyrrolidin-2-ylmethyl)morpholine-2-carboxamide
CID 118006865
N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140671730

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (CID 140671794) is N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is CC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)Nc2ccnc(C(N)=O)c2)O1.
What is the InChIKey of N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The InChIKey is LZAVYSHLOPFJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-13-11-28(18-5-4-14(10-23)20-16(18)3-2-7-26-20)12-19(31-13)22(30)27-15-6-8-25-17(9-15)21(24)29/h2-9,13,19H,11-12H2,1H3,(H2,24,29)(H,25,27,30).
What are the key properties of N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-pyridinyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 140671794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).