4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide

C24H29N5O3 — CID 124994678

IUPAC4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
SMILESCc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1
InChIInChI=1S/C24H29N5O3/c1-17-13-22(20-14-26-10-7-21(20)27-17)29-11-8-24(31,16-29)15-28(2)23(30)18-3-5-19(6-4-18)32-12-9-25/h3-7,10,13-14,31H,8-9,11-12,15-16,25H2,1-2H3/t24-/m0/s1
InChIKeyQGGNKNNZEFVCAZ-DEOSSOPVSA-N
MW435.53 g/mol
LogP1.99
Rot. Bonds7

About 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide

4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide (PubChem CID 124994678) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
PubChem CID124994678
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
SMILESCc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1
InChIInChI=1S/C24H29N5O3/c1-17-13-22(20-14-26-10-7-21(20)27-17)29-11-8-24(31,16-29)15-28(2)23(30)18-3-5-19(6-4-18)32-12-9-25/h3-7,10,13-14,31H,8-9,11-12,15-16,25H2,1-2H3/t24-/m0/s1
InChIKeyQGGNKNNZEFVCAZ-DEOSSOPVSA-N
XLogP1.99
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide (CID 124994678) is 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide is Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1.
What is the InChIKey of 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is QGGNKNNZEFVCAZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17-13-22(20-14-26-10-7-21(20)27-17)29-11-8-24(31,16-29)15-28(2)23(30)18-3-5-19(6-4-18)32-12-9-25/h3-7,10,13-14,31H,8-9,11-12,15-16,25H2,1-2H3/t24-/m0/s1.
What are the key properties of 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide?
4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 435.53 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 124994678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).