(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone

C24H26N4O2 — CID 56533430

IUPAC(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-30-21-12-10-19(11-13-21)27-23-22(9-6-15-25-23)24(29)28-16-14-20(17-28)26-18-7-4-3-5-8-18/h3-13,15,20,26H,2,14,16-17H2,1H3,(H,25,27)
InChIKeyHGFBUTODVUGAQG-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.55
Rot. Bonds7

About (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone

(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone (PubChem CID 56533430) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
PubChem CID56533430
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
SMILESCCOc1ccc(Nc2ncccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-30-21-12-10-19(11-13-21)27-23-22(9-6-15-25-23)24(29)28-16-14-20(17-28)26-18-7-4-3-5-8-18/h3-13,15,20,26H,2,14,16-17H2,1H3,(H,25,27)
InChIKeyHGFBUTODVUGAQG-UHFFFAOYSA-N
XLogP4.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543206
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799406
1-[4-[4-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 25361326
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112803698
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
[2-(4-ethoxyanilino)-3-pyridinyl]-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 47092212
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081

Frequently Asked Questions

What is the IUPAC name of (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone (CID 56533430) is (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone is CCOc1ccc(Nc2ncccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1.
What is the InChIKey of (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone?
The InChIKey is HGFBUTODVUGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-30-21-12-10-19(11-13-21)27-23-22(9-6-15-25-23)24(29)28-16-14-20(17-28)26-18-7-4-3-5-8-18/h3-13,15,20,26H,2,14,16-17H2,1H3,(H,25,27).
What are the key properties of (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone?
(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone has a molecular weight of 402.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 56533430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).