N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C26H34F2N6O2 — CID 59740918

IUPACN-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNCCCN1C(=O)CC[C@@H]1CNC(=O)c1cc(F)c(N2CCCC2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H34F2N6O2/c27-19-6-3-5-18(15-19)9-11-30-24-21(16-22(28)25(32-24)33-12-1-2-13-33)26(36)31-17-20-7-8-23(35)34(20)14-4-10-29/h3,5-6,15-16,20H,1-2,4,7-14,17,29H2,(H,30,32)(H,31,36)/t20-/m1/s1
InChIKeyTZNUANQSWXJSKK-HXUWFJFHSA-N
MW500.59 g/mol
LogP2.68
Rot. Bonds11

About N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 59740918) has the molecular formula C26H34F2N6O2 and a molecular weight of 500.59 g/mol. Its IUPAC name is N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID59740918
Molecular FormulaC26H34F2N6O2
Molecular Weight500.59 g/mol
Exact Mass500.27
IUPAC NameN-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNCCCN1C(=O)CC[C@@H]1CNC(=O)c1cc(F)c(N2CCCC2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H34F2N6O2/c27-19-6-3-5-18(15-19)9-11-30-24-21(16-22(28)25(32-24)33-12-1-2-13-33)26(36)31-17-20-7-8-23(35)34(20)14-4-10-29/h3,5-6,15-16,20H,1-2,4,7-14,17,29H2,(H,30,32)(H,31,36)/t20-/m1/s1
InChIKeyTZNUANQSWXJSKK-HXUWFJFHSA-N
XLogP2.68
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[[1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 67101367
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
2-[2-(aminomethyl)-3-pyridinyl]-2-[5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]acetamide
CID 67188002
(2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid
CID 67101044
6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740865
(2S,3R)-1-[2-(3-fluorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291524
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
6-[2-(3-fluorophenyl)ethylamino]-5-N-(pyridin-3-ylmethyl)pyridine-2,5-dicarboxamide
CID 59738255
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-5-bromo-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 59738234
3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide
CID 120578113

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 59740918) is N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide is NCCCN1C(=O)CC[C@@H]1CNC(=O)c1cc(F)c(N2CCCC2)nc1NCCc1cccc(F)c1.
What is the InChIKey of N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is TZNUANQSWXJSKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H34F2N6O2/c27-19-6-3-5-18(15-19)9-11-30-24-21(16-22(28)25(32-24)33-12-1-2-13-33)26(36)31-17-20-7-8-23(35)34(20)14-4-10-29/h3,5-6,15-16,20H,1-2,4,7-14,17,29H2,(H,30,32)(H,31,36)/t20-/m1/s1.
What are the key properties of N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 500.59 g/mol, XLogP of 2.68, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 59740918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).