2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide

C18H18N4O3 — CID 86864818

IUPAC2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)nc1
InChIInChI=1S/C18H18N4O3/c19-16(23)13-6-7-15(20-11-13)17(24)21-14-5-3-4-12(10-14)18(25)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9H2,(H2,19,23)(H,21,24)
InChIKeyIBXSEQJPODVMLH-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.67
Rot. Bonds4

About 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide

2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide (PubChem CID 86864818) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
PubChem CID86864818
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)nc1
InChIInChI=1S/C18H18N4O3/c19-16(23)13-6-7-15(20-11-13)17(24)21-14-5-3-4-12(10-14)18(25)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9H2,(H2,19,23)(H,21,24)
InChIKeyIBXSEQJPODVMLH-UHFFFAOYSA-N
XLogP1.67
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
4-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 99249750
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide (CID 86864818) is 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)nc1.
What is the InChIKey of 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide?
The InChIKey is IBXSEQJPODVMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-16(23)13-6-7-15(20-11-13)17(24)21-14-5-3-4-12(10-14)18(25)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9H2,(H2,19,23)(H,21,24).
What are the key properties of 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide?
2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 86864818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).