1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide

C18H14N4O2 — CID 679756

IUPAC1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1cccnc1)c1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C18H14N4O2/c23-17(21-15-6-2-8-19-11-15)13-4-1-5-14(10-13)18(24)22-16-7-3-9-20-12-16/h1-12H,(H,21,23)(H,22,24)
InChIKeyXCHDYYIPUWNLTN-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.98
Rot. Bonds4

About 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 679756) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
PubChem CID679756
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
SMILESO=C(Nc1cccnc1)c1cccc(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C18H14N4O2/c23-17(21-15-6-2-8-19-11-15)13-4-1-5-14(10-13)18(24)22-16-7-3-9-20-12-16/h1-12H,(H,21,23)(H,22,24)
InChIKeyXCHDYYIPUWNLTN-UHFFFAOYSA-N
XLogP2.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763143
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297
3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
CID 168597603
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide (CID 679756) is 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide is O=C(Nc1cccnc1)c1cccc(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
The InChIKey is XCHDYYIPUWNLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(21-15-6-2-8-19-11-15)13-4-1-5-14(10-13)18(24)22-16-7-3-9-20-12-16/h1-12H,(H,21,23)(H,22,24).
What are the key properties of 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide?
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 679756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).