5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C21H24ClN5O3 — CID 55777588

IUPAC5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1N1CCCCC1=O
InChIInChI=1S/C21H24ClN5O3/c1-30-17-8-7-14(12-16(17)27-11-3-2-6-18(27)28)24-20(29)19-15(22)13-23-21(25-19)26-9-4-5-10-26/h7-8,12-13H,2-6,9-11H2,1H3,(H,24,29)
InChIKeyLZAJRZWWEITUQN-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.51
Rot. Bonds5

About 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55777588) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55777588
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1N1CCCCC1=O
InChIInChI=1S/C21H24ClN5O3/c1-30-17-8-7-14(12-16(17)27-11-3-2-6-18(27)28)24-20(29)19-15(22)13-23-21(25-19)26-9-4-5-10-26/h7-8,12-13H,2-6,9-11H2,1H3,(H,24,29)
InChIKeyLZAJRZWWEITUQN-UHFFFAOYSA-N
XLogP3.51
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935216
5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87028695
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
6-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 47031678
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55777588) is 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1N1CCCCC1=O.
What is the InChIKey of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is LZAJRZWWEITUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-30-17-8-7-14(12-16(17)27-11-3-2-6-18(27)28)24-20(29)19-15(22)13-23-21(25-19)26-9-4-5-10-26/h7-8,12-13H,2-6,9-11H2,1H3,(H,24,29).
What are the key properties of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55777588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).