N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide

C22H20F2N4O2 — CID 146525122

IUPACN-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Nc2ccc(F)cc2F)c(-c2cc(NC)c(=O)n(C)c2)c1
InChIInChI=1S/C22H20F2N4O2/c1-4-21(29)26-15-6-8-18(27-19-7-5-14(23)10-17(19)24)16(11-15)13-9-20(25-2)22(30)28(3)12-13/h4-12,25,27H,1H2,2-3H3,(H,26,29)
InChIKeyJKZNYJXCVLILNM-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.24
Rot. Bonds6

About N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide

N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide (PubChem CID 146525122) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide
PubChem CID146525122
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC NameN-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Nc2ccc(F)cc2F)c(-c2cc(NC)c(=O)n(C)c2)c1
InChIInChI=1S/C22H20F2N4O2/c1-4-21(29)26-15-6-8-18(27-19-7-5-14(23)10-17(19)24)16(11-15)13-9-20(25-2)22(30)28(3)12-13/h4-12,25,27H,1H2,2-3H3,(H,26,29)
InChIKeyJKZNYJXCVLILNM-UHFFFAOYSA-N
XLogP4.24
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
GW791343
CID 9848160
4-(Trifluoromethyl)-6-(propylamino)quinoline-2(1H)-one
CID 9903530
6-[Ethyl(propan-2-yl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9904328
6-[(2,2-Dimethylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9926254
4-(Trifluoromethyl)-6-(diethylamino)quinoline-2(1H)-one
CID 16090309
6-(Dipropylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090310
6-(Dibutylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090311
4-(Trifluoromethyl)-6-(ethylamino)quinoline-2(1H)-one
CID 23648047
4-Methyl-6-[(2-methylpropyl)(2,2,2-trifluoroethyl)amino]-1,2-dihydroquinolin-2-one
CID 23648070
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(m-tolyl)acetamide
CID 10359019

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide (CID 146525122) is N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Nc2ccc(F)cc2F)c(-c2cc(NC)c(=O)n(C)c2)c1.
What is the InChIKey of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide?
The InChIKey is JKZNYJXCVLILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-4-21(29)26-15-6-8-18(27-19-7-5-14(23)10-17(19)24)16(11-15)13-9-20(25-2)22(30)28(3)12-13/h4-12,25,27H,1H2,2-3H3,(H,26,29).
What are the key properties of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide?
N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide has a molecular weight of 410.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide is sourced from PubChem (CID 146525122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).