1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one

C22H25ClN4O3 — CID 56584943

IUPAC1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C22H25ClN4O3/c1-30-19-8-7-16(13-18(19)27-11-5-6-20(27)28)25-21-17(23)12-15(14-24-21)22(29)26-9-3-2-4-10-26/h7-8,12-14H,2-6,9-11H2,1H3,(H,24,25)
InChIKeyNWDGPDLXGIDWLN-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.24
Rot. Bonds5

About 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one

1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one (PubChem CID 56584943) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one
PubChem CID56584943
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C22H25ClN4O3/c1-30-19-8-7-16(13-18(19)27-11-5-6-20(27)28)25-21-17(23)12-15(14-24-21)22(29)26-9-3-2-4-10-26/h7-8,12-14H,2-6,9-11H2,1H3,(H,24,25)
InChIKeyNWDGPDLXGIDWLN-UHFFFAOYSA-N
XLogP4.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one with MolForge

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Related Compounds

[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
[2-(3-chloro-4-methoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250016
[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate
CID 51114809
[5-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271011
1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 55633132
[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584778
5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55777588
ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
CID 163260959
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one (CID 56584943) is 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one is COc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1N1CCCC1=O.
What is the InChIKey of 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one?
The InChIKey is NWDGPDLXGIDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-30-19-8-7-16(13-18(19)27-11-5-6-20(27)28)25-21-17(23)12-15(14-24-21)22(29)26-9-3-2-4-10-26/h7-8,12-14H,2-6,9-11H2,1H3,(H,24,25).
What are the key properties of 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one?
1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one has a molecular weight of 428.92 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 56584943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).