2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide

C20H24FN5O3 — CID 87302526

IUPAC2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide
SMILESNC(=O)CN(C=O)c1ccc(N2CC[C@@H](O)C2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C20H24FN5O3/c21-15-3-1-2-14(10-15)6-8-23-20-17(26(13-27)12-18(22)29)4-5-19(24-20)25-9-7-16(28)11-25/h1-5,10,13,16,28H,6-9,11-12H2,(H2,22,29)(H,23,24)/t16-/m1/s1
InChIKeyGFSLUUGZKQXPOO-MRXNPFEDSA-N
MW401.44 g/mol
LogP0.89
Rot. Bonds9

About 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide

2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide (PubChem CID 87302526) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide
PubChem CID87302526
Molecular FormulaC20H24FN5O3
Molecular Weight401.44 g/mol
Exact Mass401.19
IUPAC Name2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide
SMILESNC(=O)CN(C=O)c1ccc(N2CC[C@@H](O)C2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C20H24FN5O3/c21-15-3-1-2-14(10-15)6-8-23-20-17(26(13-27)12-18(22)29)4-5-19(24-20)25-9-7-16(28)11-25/h1-5,10,13,16,28H,6-9,11-12H2,(H2,22,29)(H,23,24)/t16-/m1/s1
InChIKeyGFSLUUGZKQXPOO-MRXNPFEDSA-N
XLogP0.89
TPSA111.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide?
The IUPAC name of 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide (CID 87302526) is 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide.
What is the SMILES notation for 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide?
The canonical SMILES for 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide is NC(=O)CN(C=O)c1ccc(N2CC[C@@H](O)C2)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide?
The InChIKey is GFSLUUGZKQXPOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FN5O3/c21-15-3-1-2-14(10-15)6-8-23-20-17(26(13-27)12-18(22)29)4-5-19(24-20)25-9-7-16(28)11-25/h1-5,10,13,16,28H,6-9,11-12H2,(H2,22,29)(H,23,24)/t16-/m1/s1.
What are the key properties of 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide?
2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide has a molecular weight of 401.44 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-formylamino]acetamide is sourced from PubChem (CID 87302526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).