3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide

C18H19N5O3 — CID 166340166

IUPAC3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
SMILESNC(=O)N1CC(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)C1
InChIInChI=1S/C18H19N5O3/c19-18(26)23-10-13(11-23)17(25)22-14-6-3-4-12(8-14)16(24)21-9-15-5-1-2-7-20-15/h1-8,13H,9-11H2,(H2,19,26)(H,21,24)(H,22,25)
InChIKeyXHHUIWCZGOMNAY-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.96
Rot. Bonds5

About 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide

3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide (PubChem CID 166340166) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
PubChem CID166340166
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
SMILESNC(=O)N1CC(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)C1
InChIInChI=1S/C18H19N5O3/c19-18(26)23-10-13(11-23)17(25)22-14-6-3-4-12(8-14)16(24)21-9-15-5-1-2-7-20-15/h1-8,13H,9-11H2,(H2,19,26)(H,21,24)(H,22,25)
InChIKeyXHHUIWCZGOMNAY-UHFFFAOYSA-N
XLogP0.96
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783616
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783688
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338632
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105
5-(methoxymethyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332364
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide (CID 166340166) is 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide is NC(=O)N1CC(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)C1.
What is the InChIKey of 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide?
The InChIKey is XHHUIWCZGOMNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c19-18(26)23-10-13(11-23)17(25)22-14-6-3-4-12(8-14)16(24)21-9-15-5-1-2-7-20-15/h1-8,13H,9-11H2,(H2,19,26)(H,21,24)(H,22,25).
What are the key properties of 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide?
3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide is sourced from PubChem (CID 166340166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).