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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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).