N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide

C21H19N3O5 — CID 42089647

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(=O)[nH]c2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H19N3O5/c1-28-17-11-16(24-21(27)14-8-9-19(25)22-12-14)18(29-2)10-15(17)23-20(26)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyDLBPEABXBTWYFO-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.90
Rot. Bonds6

About N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 42089647) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID42089647
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(=O)[nH]c2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H19N3O5/c1-28-17-11-16(24-21(27)14-8-9-19(25)22-12-14)18(29-2)10-15(17)23-20(26)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyDLBPEABXBTWYFO-UHFFFAOYSA-N
XLogP2.90
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
N-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
CID 532160
Fast Blue RR
CID 93116
Fast Violet B
CID 66830
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
CID 23653531
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
2-[4-(dimethylamino)-3-methoxyphenyl]-3H-isoindol-1-one
CID 25267010
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide
CID 532276

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 42089647) is N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(=O)[nH]c2)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DLBPEABXBTWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-28-17-11-16(24-21(27)14-8-9-19(25)22-12-14)18(29-2)10-15(17)23-20(26)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42089647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).