4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide

C23H23FN4O2 — CID 171537317

IUPAC4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide
SMILES[H]/N=C(\C)c1c(F)cc(Oc2ccnc(-c3ccc(C(N)=O)c(CC)c3)c2)cc1NC
InChIInChI=1S/C23H23FN4O2/c1-4-14-9-15(5-6-18(14)23(26)29)20-11-16(7-8-28-20)30-17-10-19(24)22(13(2)25)21(12-17)27-3/h5-12,25,27H,4H2,1-3H3,(H2,26,29)/b25-13+
InChIKeyFXYXZAZXZVATPI-DHRITJCHSA-N
MW406.46 g/mol
LogP4.77
Rot. Bonds7

About 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide

4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide (PubChem CID 171537317) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide.

Molecular Properties

Compound Name4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide
PubChem CID171537317
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide
SMILES[H]/N=C(\C)c1c(F)cc(Oc2ccnc(-c3ccc(C(N)=O)c(CC)c3)c2)cc1NC
InChIInChI=1S/C23H23FN4O2/c1-4-14-9-15(5-6-18(14)23(26)29)20-11-16(7-8-28-20)30-17-10-19(24)22(13(2)25)21(12-17)27-3/h5-12,25,27H,4H2,1-3H3,(H2,26,29)/b25-13+
InChIKeyFXYXZAZXZVATPI-DHRITJCHSA-N
XLogP4.77
TPSA101.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Ibcasertib
CID 49779393
7-Methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
CID 67617600
N-Cyclopropyl-6-[(7-methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 11383525
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
N-[5-(5-amino-2-pyridinyl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 156019009
N-(2,4-dimethyl-5-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 156019072
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
N-methyl-7-(2-(3-(3-(trifluoromethoxy)phenyl)ureido)ethyl)isoquinoline-3-carboxamide
CID 11750815
4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585320
4-(2,4-Difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24795066

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide?
The IUPAC name of 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide (CID 171537317) is 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide.
What is the SMILES notation for 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide?
The canonical SMILES for 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide is [H]/N=C(\C)c1c(F)cc(Oc2ccnc(-c3ccc(C(N)=O)c(CC)c3)c2)cc1NC.
What is the InChIKey of 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide?
The InChIKey is FXYXZAZXZVATPI-DHRITJCHSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-4-14-9-15(5-6-18(14)23(26)29)20-11-16(7-8-28-20)30-17-10-19(24)22(13(2)25)21(12-17)27-3/h5-12,25,27H,4H2,1-3H3,(H2,26,29)/b25-13+.
What are the key properties of 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide?
4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide has a molecular weight of 406.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide is sourced from PubChem (CID 171537317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).