2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide

C25H33FN4O2 — CID 86764593

IUPAC2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide
SMILESCCCNc1nccc(N2CC[C@@H](Oc3ccc(C(C)C(=O)NC4CC4C)cc3)C2)c1F
InChIInChI=1S/C25H33FN4O2/c1-4-11-27-24-23(26)22(9-12-28-24)30-13-10-20(15-30)32-19-7-5-18(6-8-19)17(3)25(31)29-21-14-16(21)2/h5-9,12,16-17,20-21H,4,10-11,13-15H2,1-3H3,(H,27,28)(H,29,31)/t16?,17?,20-,21?/m1/s1
InChIKeyFFALRYSJOGNGCD-IDBGYDNBSA-N
MW440.56 g/mol
LogP4.33
Rot. Bonds9

About 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide

2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide (PubChem CID 86764593) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide.

Molecular Properties

Compound Name2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide
PubChem CID86764593
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide
SMILESCCCNc1nccc(N2CC[C@@H](Oc3ccc(C(C)C(=O)NC4CC4C)cc3)C2)c1F
InChIInChI=1S/C25H33FN4O2/c1-4-11-27-24-23(26)22(9-12-28-24)30-13-10-20(15-30)32-19-7-5-18(6-8-19)17(3)25(31)29-21-14-16(21)2/h5-9,12,16-17,20-21H,4,10-11,13-15H2,1-3H3,(H,27,28)(H,29,31)/t16?,17?,20-,21?/m1/s1
InChIKeyFFALRYSJOGNGCD-IDBGYDNBSA-N
XLogP4.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide?
The IUPAC name of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide (CID 86764593) is 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide.
What is the SMILES notation for 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide?
The canonical SMILES for 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide is CCCNc1nccc(N2CC[C@@H](Oc3ccc(C(C)C(=O)NC4CC4C)cc3)C2)c1F.
What is the InChIKey of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide?
The InChIKey is FFALRYSJOGNGCD-IDBGYDNBSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-4-11-27-24-23(26)22(9-12-28-24)30-13-10-20(15-30)32-19-7-5-18(6-8-19)17(3)25(31)29-21-14-16(21)2/h5-9,12,16-17,20-21H,4,10-11,13-15H2,1-3H3,(H,27,28)(H,29,31)/t16?,17?,20-,21?/m1/s1.
What are the key properties of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide?
2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide has a molecular weight of 440.56 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(2-methylcyclopropyl)propanamide is sourced from PubChem (CID 86764593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).