(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C20H20N4O2 — CID 97063433

IUPAC(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)c2cccnc12
InChIInChI=1S/C20H20N4O2/c1-26-18-7-6-16(15-4-2-10-22-19(15)18)23-20(25)24-13-3-5-17(24)14-8-11-21-12-9-14/h2,4,6-12,17H,3,5,13H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyXHRDXRGAPOMPCO-KRWDZBQOSA-N
MW348.41 g/mol
LogP4.01
Rot. Bonds3

About (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 97063433) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID97063433
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)c2cccnc12
InChIInChI=1S/C20H20N4O2/c1-26-18-7-6-16(15-4-2-10-22-19(15)18)23-20(25)24-13-3-5-17(24)14-8-11-21-12-9-14/h2,4,6-12,17H,3,5,13H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyXHRDXRGAPOMPCO-KRWDZBQOSA-N
XLogP4.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078081
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 51116489
N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87010188
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-2-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 124617297
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
(2S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52521085
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 97063433) is (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)c2cccnc12.
What is the InChIKey of (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is XHRDXRGAPOMPCO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-7-6-16(15-4-2-10-22-19(15)18)23-20(25)24-13-3-5-17(24)14-8-11-21-12-9-14/h2,4,6-12,17H,3,5,13H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97063433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).