6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide

C23H25N5O2 — CID 48659585

IUPAC6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cn1
InChIInChI=1S/C23H25N5O2/c1-3-28(4-2)21-12-11-18(15-25-21)23(30)27-19-10-7-8-17(14-19)22(29)26-16-20-9-5-6-13-24-20/h5-15H,3-4,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYTSWWIZSNWTDRY-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.51
Rot. Bonds8

About 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide

6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 48659585) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID48659585
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cn1
InChIInChI=1S/C23H25N5O2/c1-3-28(4-2)21-12-11-18(15-25-21)23(30)27-19-10-7-8-17(14-19)22(29)26-16-20-9-5-6-13-24-20/h5-15H,3-4,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYTSWWIZSNWTDRY-UHFFFAOYSA-N
XLogP3.51
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55782703
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105
5-(diethylamino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282951
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 48659585) is 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cn1.
What is the InChIKey of 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is YTSWWIZSNWTDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-28(4-2)21-12-11-18(15-25-21)23(30)27-19-10-7-8-17(14-19)22(29)26-16-20-9-5-6-13-24-20/h5-15H,3-4,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 48659585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).