N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide

C21H20N4O2 — CID 55610611

IUPACN-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1
InChIInChI=1S/C21H20N4O2/c1-25(2)19-8-3-5-16(13-19)21(27)24-18-7-4-6-17(14-18)23-20(26)15-9-11-22-12-10-15/h3-14H,1-2H3,(H,23,26)(H,24,27)
InChIKeyBAAFXFHUJOPEMU-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.65
Rot. Bonds5

About N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 55610611) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID55610611
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1
InChIInChI=1S/C21H20N4O2/c1-25(2)19-8-3-5-16(13-19)21(27)24-18-7-4-6-17(14-18)23-20(26)15-9-11-22-12-10-15/h3-14H,1-2H3,(H,23,26)(H,24,27)
InChIKeyBAAFXFHUJOPEMU-UHFFFAOYSA-N
XLogP3.65
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-[4-[[(E)-pyridin-4-ylmethylideneamino]carbamoyl]phenyl]benzamide
CID 90642883
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
CID 44561878
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide (CID 55610611) is N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide is CN(C)c1cccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1.
What is the InChIKey of N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is BAAFXFHUJOPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25(2)19-8-3-5-16(13-19)21(27)24-18-7-4-6-17(14-18)23-20(26)15-9-11-22-12-10-15/h3-14H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55610611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).