2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide

C16H13Cl2N3O2 — CID 55675758

IUPAC2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccnc(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2/c17-12-4-3-11(21-7-1-2-15(21)22)9-13(12)20-16(23)10-5-6-19-14(18)8-10/h3-6,8-9H,1-2,7H2,(H,20,23)
InChIKeyXKEPABATMZXJTK-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.77
Rot. Bonds3

About 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide

2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 55675758) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID55675758
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccnc(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2/c17-12-4-3-11(21-7-1-2-15(21)22)9-13(12)20-16(23)10-5-6-19-14(18)8-10/h3-6,8-9H,1-2,7H2,(H,20,23)
InChIKeyXKEPABATMZXJTK-UHFFFAOYSA-N
XLogP3.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47029857
1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 99835705
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
CID 122075641
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7760528
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55675672
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 86789969
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874064
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55675283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide (CID 55675758) is 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is XKEPABATMZXJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c17-12-4-3-11(21-7-1-2-15(21)22)9-13(12)20-16(23)10-5-6-19-14(18)8-10/h3-6,8-9H,1-2,7H2,(H,20,23).
What are the key properties of 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55675758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).