N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide

C21H19N5O4 — CID 39677239

IUPACN-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H19N5O4/c1-25(2)19-7-6-17(26(29)30)13-18(19)21(28)24-16-5-3-4-15(12-16)23-20(27)14-8-10-22-11-9-14/h3-13H,1-2H3,(H,23,27)(H,24,28)
InChIKeyIGMXVUYTCIWOIH-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.56
Rot. Bonds6

About N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 39677239) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID39677239
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H19N5O4/c1-25(2)19-7-6-17(26(29)30)13-18(19)21(28)24-16-5-3-4-15(12-16)23-20(27)14-8-10-22-11-9-14/h3-13H,1-2H3,(H,23,27)(H,24,28)
InChIKeyIGMXVUYTCIWOIH-UHFFFAOYSA-N
XLogP3.56
TPSA117.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
CID 55611030
N-[3-(butylsulfamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 36672196
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
CID 42747482
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(dimethylamino)-5-nitrobenzamide
CID 18098111
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide (CID 39677239) is N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is IGMXVUYTCIWOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-25(2)19-7-6-17(26(29)30)13-18(19)21(28)24-16-5-3-4-15(12-16)23-20(27)14-8-10-22-11-9-14/h3-13H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39677239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).