3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide

C23H29N5O3 — CID 110160473

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
SMILESCc1noc(C)c1CCC(=O)N(C)CC1(O)CCCN(c2ccnc3ccncc23)C1
InChIInChI=1S/C23H29N5O3/c1-16-18(17(2)31-26-16)5-6-22(29)27(3)14-23(30)9-4-12-28(15-23)21-8-11-25-20-7-10-24-13-19(20)21/h7-8,10-11,13,30H,4-6,9,12,14-15H2,1-3H3
InChIKeyNUTAQDIXDYYSEX-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.66
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide (PubChem CID 110160473) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
PubChem CID110160473
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
SMILESCc1noc(C)c1CCC(=O)N(C)CC1(O)CCCN(c2ccnc3ccncc23)C1
InChIInChI=1S/C23H29N5O3/c1-16-18(17(2)31-26-16)5-6-22(29)27(3)14-23(30)9-4-12-28(15-23)21-8-11-25-20-7-10-24-13-19(20)21/h7-8,10-11,13,30H,4-6,9,12,14-15H2,1-3H3
InChIKeyNUTAQDIXDYYSEX-UHFFFAOYSA-N
XLogP2.66
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972772
4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972771
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 110153899
4-amino-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 125020027
N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-4-pyrrolidin-1-ylbutanamide
CID 124944586
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 110160357
4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobut-2-enoic acid
CID 171146929
2-(1-acetamidocyclohexyl)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
CID 124987056
4-(aminomethyl)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124956692
3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 125026317
3-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124998585
4-(3-aminopropoxy)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124976596

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide (CID 110160473) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide is Cc1noc(C)c1CCC(=O)N(C)CC1(O)CCCN(c2ccnc3ccncc23)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
The InChIKey is NUTAQDIXDYYSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16-18(17(2)31-26-16)5-6-22(29)27(3)14-23(30)9-4-12-28(15-23)21-8-11-25-20-7-10-24-13-19(20)21/h7-8,10-11,13,30H,4-6,9,12,14-15H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide has a molecular weight of 423.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 110160473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).