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

C24H33FN4O2 — CID 118919516

IUPAC2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide
SMILESCCCNc1nccc(N2CC[C@@H](Oc3ccc(C(C)C(=O)NC(C)C)cc3)C2)c1F
InChIInChI=1S/C24H33FN4O2/c1-5-12-26-23-22(25)21(10-13-27-23)29-14-11-20(15-29)31-19-8-6-18(7-9-19)17(4)24(30)28-16(2)3/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,26,27)(H,28,30)/t17?,20-/m1/s1
InChIKeyFMIRTPCFBJUUFH-UUSAFJCLSA-N
MW428.55 g/mol
LogP4.33
Rot. Bonds9

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

2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide (PubChem CID 118919516) has the molecular formula C24H33FN4O2 and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide
PubChem CID118919516
Molecular FormulaC24H33FN4O2
Molecular Weight428.55 g/mol
Exact Mass428.26
IUPAC Name2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide
SMILESCCCNc1nccc(N2CC[C@@H](Oc3ccc(C(C)C(=O)NC(C)C)cc3)C2)c1F
InChIInChI=1S/C24H33FN4O2/c1-5-12-26-23-22(25)21(10-13-27-23)29-14-11-20(15-29)31-19-8-6-18(7-9-19)17(4)24(30)28-16(2)3/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,26,27)(H,28,30)/t17?,20-/m1/s1
InChIKeyFMIRTPCFBJUUFH-UUSAFJCLSA-N
XLogP4.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335
US9902722, Example 7
CID 118429852
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393193
1-(2-Amino-4-pyridinyl)-3-[5-[4-[(ethoxyamino)methyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155535387
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]phenyl]-2-pyridinyl]acetamide
CID 168286154
US10155760, Example 11
CID 118419999
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3,5-difluorophenyl]-2-pyridinyl]acetamide
CID 118420466
US10155760, Example 13
CID 118429651

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide (CID 118919516) is 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide is CCCNc1nccc(N2CC[C@@H](Oc3ccc(C(C)C(=O)NC(C)C)cc3)C2)c1F.
What is the InChIKey of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide?
The InChIKey is FMIRTPCFBJUUFH-UUSAFJCLSA-N. The full InChI is InChI=1S/C24H33FN4O2/c1-5-12-26-23-22(25)21(10-13-27-23)29-14-11-20(15-29)31-19-8-6-18(7-9-19)17(4)24(30)28-16(2)3/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,26,27)(H,28,30)/t17?,20-/m1/s1.
What are the key properties of 2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide?
2-[4-[(3R)-1-[3-fluoro-2-(propylamino)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-propan-2-ylpropanamide has a molecular weight of 428.55 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-propan-2-ylpropanamide is sourced from PubChem (CID 118919516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).