N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide

C27H24F2N4O2 — CID 145296015

IUPACN-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide
SMILESCNc1cccc(N(C=O)c2ccncc2N(C)c2ccc(OCc3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C27H24F2N4O2/c1-30-20-4-3-5-22(15-20)33(18-34)26-12-13-31-16-27(26)32(2)21-7-9-23(10-8-21)35-17-19-6-11-24(28)25(29)14-19/h3-16,18,30H,17H2,1-2H3
InChIKeySTUICIROGAUTKG-UHFFFAOYSA-N
MW474.51 g/mol
LogP6.04
Rot. Bonds9

About N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide

N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide (PubChem CID 145296015) has the molecular formula C27H24F2N4O2 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide
PubChem CID145296015
Molecular FormulaC27H24F2N4O2
Molecular Weight474.51 g/mol
Exact Mass474.19
IUPAC NameN-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide
SMILESCNc1cccc(N(C=O)c2ccncc2N(C)c2ccc(OCc3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C27H24F2N4O2/c1-30-20-4-3-5-22(15-20)33(18-34)26-12-13-31-16-27(26)32(2)21-7-9-23(10-8-21)35-17-19-6-11-24(28)25(29)14-19/h3-16,18,30H,17H2,1-2H3
InChIKeySTUICIROGAUTKG-UHFFFAOYSA-N
XLogP6.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[3-[3-chloro-N-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]anilino]-4-pyridinyl]-formylamino]phenyl]prop-2-enamide
CID 167131568
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
N-[3-[4-[(4-chloro-2-fluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-(1-prop-2-enoylpyrrolidin-3-yl)formamide
CID 167131452
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
5-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-2-amine
CID 62187826
N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
CID 11259213
2-[(3,4-difluorophenyl)methoxy]pyrazine
CID 126954833
2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
CID 79259130
2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
CID 103695236
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide?
The IUPAC name of N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide (CID 145296015) is N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide.
What is the SMILES notation for N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide?
The canonical SMILES for N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide is CNc1cccc(N(C=O)c2ccncc2N(C)c2ccc(OCc3ccc(F)c(F)c3)cc2)c1.
What is the InChIKey of N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide?
The InChIKey is STUICIROGAUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O2/c1-30-20-4-3-5-22(15-20)33(18-34)26-12-13-31-16-27(26)32(2)21-7-9-23(10-8-21)35-17-19-6-11-24(28)25(29)14-19/h3-16,18,30H,17H2,1-2H3.
What are the key properties of N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide?
N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide has a molecular weight of 474.51 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3,4-difluorophenyl)methoxy]-N-methylanilino]-4-pyridinyl]-N-[3-(methylamino)phenyl]formamide is sourced from PubChem (CID 145296015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).