4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one

C57H61BrN16O9 — CID 157325414

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccn(C)c(=O)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)O)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(N)=O)cn1.Cn1ccc(Br)cc1=O
InChIInChI=1S/C21H22N6O3.C15H17N5O2.C15H16N4O3.C6H6BrNO/c1-3-22-21(30)26-18-12-17(24-14-7-5-4-6-8-14)16(13-23-18)20(29)25-15-9-10-27(2)19(28)11-15;1-2-17-15(22)20-13-8-12(11(9-18-13)14(16)21)19-10-6-4-3-5-7-10;1-2-16-15(22)19-13-8-12(11(9-17-13)14(20)21)18-10-6-4-3-5-7-10;1-8-3-2-5(7)4-6(8)9/h4-13H,3H2,1-2H3,(H,25,29)(H3,22,23,24,26,30);3-9H,2H2,1H3,(H2,16,21)(H3,17,18,19,20,22);3-9H,2H2,1H3,(H,20,21)(H3,16,17,18,19,22);2-4H,1H3
InChIKeyBEQSZDRWDMAVMK-UHFFFAOYSA-N
MW1194.12 g/mol
LogP8.80
Rot. Bonds16

About 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one

4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one (PubChem CID 157325414) has the molecular formula C57H61BrN16O9 and a molecular weight of 1194.12 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one
PubChem CID157325414
Molecular FormulaC57H61BrN16O9
Molecular Weight1194.12 g/mol
Exact Mass1192.40
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccn(C)c(=O)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)O)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(N)=O)cn1.Cn1ccc(Br)cc1=O
InChIInChI=1S/C21H22N6O3.C15H17N5O2.C15H16N4O3.C6H6BrNO/c1-3-22-21(30)26-18-12-17(24-14-7-5-4-6-8-14)16(13-23-18)20(29)25-15-9-10-27(2)19(28)11-15;1-2-17-15(22)20-13-8-12(11(9-18-13)14(16)21)19-10-6-4-3-5-7-10;1-2-16-15(22)19-13-8-12(11(9-17-13)14(20)21)18-10-6-4-3-5-7-10;1-8-3-2-5(7)4-6(8)9/h4-13H,3H2,1-2H3,(H,25,29)(H3,22,23,24,26,30);3-9H,2H2,1H3,(H2,16,21)(H3,17,18,19,20,22);3-9H,2H2,1H3,(H,20,21)(H3,16,17,18,19,22);2-4H,1H3
InChIKeyBEQSZDRWDMAVMK-UHFFFAOYSA-N
XLogP8.80
TPSA351.64 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001194.12
LogP ≤ 58.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one with MolForge

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Related Compounds

4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 71621638
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 129094682
(2R)-1-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-tert-butylpyrrolidine-2-carboxylic acid
CID 129094720
4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158104035
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]pentan-3-ylphosphonic acid
CID 129094660
4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 71621935
1-[4-anilino-5-(morpholine-4-carbonyl)-2-pyridinyl]-3-ethylurea
CID 71621323
6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide
CID 141371382
4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 71622215
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
CID 144625201
N-[4-(3-amino-3-oxopropyl)phenyl]-4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 157332393
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one (CID 157325414) is 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccn(C)c(=O)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)O)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(N)=O)cn1.Cn1ccc(Br)cc1=O.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one?
The InChIKey is BEQSZDRWDMAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3.C15H17N5O2.C15H16N4O3.C6H6BrNO/c1-3-22-21(30)26-18-12-17(24-14-7-5-4-6-8-14)16(13-23-18)20(29)25-15-9-10-27(2)19(28)11-15;1-2-17-15(22)20-13-8-12(11(9-18-13)14(16)21)19-10-6-4-3-5-7-10;1-2-16-15(22)19-13-8-12(11(9-17-13)14(20)21)18-10-6-4-3-5-7-10;1-8-3-2-5(7)4-6(8)9/h4-13H,3H2,1-2H3,(H,25,29)(H3,22,23,24,26,30);3-9H,2H2,1H3,(H2,16,21)(H3,17,18,19,20,22);3-9H,2H2,1H3,(H,20,21)(H3,16,17,18,19,22);2-4H,1H3.
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one?
4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one has a molecular weight of 1194.12 g/mol, XLogP of 8.80, 16 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one is sourced from PubChem (CID 157325414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).