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

C24H29N5O3 — CID 110153965

IUPAC4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C24H29N5O3/c1-28(23(30)18-2-4-19(5-3-18)32-15-10-25)17-24(31)8-13-29(14-9-24)22-7-12-27-21-6-11-26-16-20(21)22/h2-7,11-12,16,31H,8-10,13-15,17,25H2,1H3
InChIKeyLFVUMUOVGAIUQK-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.07
Rot. Bonds7

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

4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (PubChem CID 110153965) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
PubChem CID110153965
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C24H29N5O3/c1-28(23(30)18-2-4-19(5-3-18)32-15-10-25)17-24(31)8-13-29(14-9-24)22-7-12-27-21-6-11-26-16-20(21)22/h2-7,11-12,16,31H,8-10,13-15,17,25H2,1H3
InChIKeyLFVUMUOVGAIUQK-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylcarbamoyl]phenoxy]acetic acid
CID 110153983
4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153954
4-(3-aminopropoxy)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124976596
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153963
4-(2-aminoethoxy)-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110154270
4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 124994678
4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride
CID 171688424
4-(aminomethyl)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124956692
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 110153924
N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 110154612
5-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 110153961
4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110154607

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (CID 110153965) is 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(OCCN)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The InChIKey is LFVUMUOVGAIUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-28(23(30)18-2-4-19(5-3-18)32-15-10-25)17-24(31)8-13-29(14-9-24)22-7-12-27-21-6-11-26-16-20(21)22/h2-7,11-12,16,31H,8-10,13-15,17,25H2,1H3.
What are the key properties of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide has a molecular weight of 435.53 g/mol, XLogP of 2.07, 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-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 110153965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).