4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

C21H19F2N5O2 — CID 71621638

IUPAC4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C21H19F2N5O2/c1-2-24-21(30)28-19-11-18(26-15-6-4-3-5-7-15)17(12-25-19)20(29)27-16-9-13(22)8-14(23)10-16/h3-12H,2H2,1H3,(H,27,29)(H3,24,25,26,28,30)
InChIKeyDLVCDMNGDRVGDW-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.50
Rot. Bonds6

About 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (PubChem CID 71621638) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
PubChem CID71621638
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Name4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C21H19F2N5O2/c1-2-24-21(30)28-19-11-18(26-15-6-4-3-5-7-15)17(12-25-19)20(29)27-16-9-13(22)8-14(23)10-16/h3-12H,2H2,1H3,(H,27,29)(H3,24,25,26,28,30)
InChIKeyDLVCDMNGDRVGDW-UHFFFAOYSA-N
XLogP4.50
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 71621935
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]-2-methylpropanoic acid
CID 129094682
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]pentan-3-ylphosphonic acid
CID 129094660
4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 71622215
1-[4-anilino-5-(morpholine-4-carbonyl)-2-pyridinyl]-3-ethylurea
CID 71621323
(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-(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
2-[[4-[[4-(3-chloro-4-fluoroanilino)-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]methyl]butanoic acid
CID 129094705
6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide
CID 141371382
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
[[5-[[6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carbonyl]amino]-2-pyridinyl]amino]methyl 1-methylcyclobutane-1-carboxylate
CID 129094652

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The IUPAC name of 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (CID 71621638) is 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The InChIKey is DLVCDMNGDRVGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c1-2-24-21(30)28-19-11-18(26-15-6-4-3-5-7-15)17(12-25-19)20(29)27-16-9-13(22)8-14(23)10-16/h3-12H,2H2,1H3,(H,27,29)(H3,24,25,26,28,30).
What are the key properties of 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71621638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).