4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

C24H22F4N4O3 — CID 118211647

IUPAC4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(OC(F)(F)F)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O
InChIInChI=1S/C24H22F4N4O3/c1-13(2)17-12-30-21(16-8-15(4-5-19(16)25)35-24(26,27)28)9-22(17)32-20-6-7-29-11-18(20)23(34)31-10-14(3)33/h4-9,11-12,14,33H,1,10H2,2-3H3,(H,31,34)(H,29,30,32)
InChIKeyJCUFKAHBBGWWPU-UHFFFAOYSA-N
MW490.46 g/mol
LogP5.07
Rot. Bonds8

About 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 118211647) has the molecular formula C24H22F4N4O3 and a molecular weight of 490.46 g/mol. Its IUPAC name is 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID118211647
Molecular FormulaC24H22F4N4O3
Molecular Weight490.46 g/mol
Exact Mass490.16
IUPAC Name4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(OC(F)(F)F)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O
InChIInChI=1S/C24H22F4N4O3/c1-13(2)17-12-30-21(16-8-15(4-5-19(16)25)35-24(26,27)28)9-22(17)32-20-6-7-29-11-18(20)23(34)31-10-14(3)33/h4-9,11-12,14,33H,1,10H2,2-3H3,(H,31,34)(H,29,30,32)
InChIKeyJCUFKAHBBGWWPU-UHFFFAOYSA-N
XLogP5.07
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (CID 118211647) is 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is C=C(C)c1cnc(-c2cc(OC(F)(F)F)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O.
What is the InChIKey of 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is JCUFKAHBBGWWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O3/c1-13(2)17-12-30-21(16-8-15(4-5-19(16)25)35-24(26,27)28)9-22(17)32-20-6-7-29-11-18(20)23(34)31-10-14(3)33/h4-9,11-12,14,33H,1,10H2,2-3H3,(H,31,34)(H,29,30,32).
What are the key properties of 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 490.46 g/mol, XLogP of 5.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 118211647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).