4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide

C24H29N5O3 — CID 110153963

IUPAC4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C24H29N5O3/c1-28(23(30)18-4-6-19(7-5-18)32-16-11-25)17-24(31)9-14-29(15-10-24)21-8-13-26-20-3-2-12-27-22(20)21/h2-8,12-13,31H,9-11,14-17,25H2,1H3
InChIKeyIMMKASNKVHAEKT-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.07
Rot. Bonds7

About 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide

4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (PubChem CID 110153963) 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-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
PubChem CID110153963
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C24H29N5O3/c1-28(23(30)18-4-6-19(7-5-18)32-16-11-25)17-24(31)9-14-29(15-10-24)21-8-13-26-20-3-2-12-27-22(20)21/h2-8,12-13,31H,9-11,14-17,25H2,1H3
InChIKeyIMMKASNKVHAEKT-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

4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride
CID 171688424
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153965
5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
CID 110153944
2-[4-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylcarbamoyl]phenoxy]acetic acid
CID 110153983
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110158915
4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 124994678
4-(2-aminoethoxy)-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110154270
4-[[(3R)-3-hydroxy-1-(1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124954904
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
2-[4-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylcarbamoyl]phenoxy]acetic acid
CID 110153884
N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-3-[2-(methylamino)ethoxy]benzamide
CID 110155269

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide (CID 110153963) is 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCN)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
The InChIKey is IMMKASNKVHAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-28(23(30)18-4-6-19(7-5-18)32-16-11-25)17-24(31)9-14-29(15-10-24)21-8-13-26-20-3-2-12-27-22(20)21/h2-8,12-13,31H,9-11,14-17,25H2,1H3.
What are the key properties of 4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide?
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-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-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 110153963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).