2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C24H27FN6O — CID 67188927

IUPAC2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(N2CC[C@H](N)C2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C24H27FN6O/c25-18-5-1-3-16(13-18)8-11-29-24-20(22(23(27)32)17-4-2-10-28-14-17)6-7-21(30-24)31-12-9-19(26)15-31/h1-7,10,13-14,19,22H,8-9,11-12,15,26H2,(H2,27,32)(H,29,30)/t19-,22?/m0/s1
InChIKeyUERCXGKOKKFDDZ-YDNXMHBPSA-N
MW434.52 g/mol
LogP2.42
Rot. Bonds8

About 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67188927) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67188927
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(N2CC[C@H](N)C2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C24H27FN6O/c25-18-5-1-3-16(13-18)8-11-29-24-20(22(23(27)32)17-4-2-10-28-14-17)6-7-21(30-24)31-12-9-19(26)15-31/h1-7,10,13-14,19,22H,8-9,11-12,15,26H2,(H2,27,32)(H,29,30)/t19-,22?/m0/s1
InChIKeyUERCXGKOKKFDDZ-YDNXMHBPSA-N
XLogP2.42
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(3-fluorophenyl)ethylamino]-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67188823
6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740865
2-[6-acetyl-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67200345
2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101487
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67187375
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[2-hydroxypropyl(methyl)amino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67197967
2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67199786
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100713
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67199036
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[2-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101798
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100985
2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101286

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67188927) is 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(N2CC[C@H](N)C2)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is UERCXGKOKKFDDZ-YDNXMHBPSA-N. The full InChI is InChI=1S/C24H27FN6O/c25-18-5-1-3-16(13-18)8-11-29-24-20(22(23(27)32)17-4-2-10-28-14-17)6-7-21(30-24)31-12-9-19(26)15-31/h1-7,10,13-14,19,22H,8-9,11-12,15,26H2,(H2,27,32)(H,29,30)/t19-,22?/m0/s1.
What are the key properties of 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 434.52 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67188927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).