N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide

C22H22N4O3 — CID 71241922

IUPACN-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C22H22N4O3/c1-13(16-10-21(27)26-12-16)29-20-9-15(8-19-17(20)4-3-7-24-19)14-5-6-18(25-11-14)22(28)23-2/h3-9,11,13,16H,10,12H2,1-2H3,(H,23,28)(H,26,27)/t13-,16-/m1/s1
InChIKeyVCFDCBCCVOAOQD-CZUORRHYSA-N
MW390.44 g/mol
LogP2.56
Rot. Bonds5

About N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide

N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide (PubChem CID 71241922) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide
PubChem CID71241922
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C22H22N4O3/c1-13(16-10-21(27)26-12-16)29-20-9-15(8-19-17(20)4-3-7-24-19)14-5-6-18(25-11-14)22(28)23-2/h3-9,11,13,16H,10,12H2,1-2H3,(H,23,28)(H,26,27)/t13-,16-/m1/s1
InChIKeyVCFDCBCCVOAOQD-CZUORRHYSA-N
XLogP2.56
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide (CID 71241922) is N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.
What is the InChIKey of N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is VCFDCBCCVOAOQD-CZUORRHYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13(16-10-21(27)26-12-16)29-20-9-15(8-19-17(20)4-3-7-24-19)14-5-6-18(25-11-14)22(28)23-2/h3-9,11,13,16H,10,12H2,1-2H3,(H,23,28)(H,26,27)/t13-,16-/m1/s1.
What are the key properties of N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide?
N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71241922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).