4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid

C19H24N4O4 — CID 124972771

IUPAC4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
SMILESCN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCC(=O)O
InChIInChI=1S/C19H24N4O4/c1-22(17(24)3-4-18(25)26)12-19(27)7-2-10-23(13-19)16-6-9-21-15-5-8-20-11-14(15)16/h5-6,8-9,11,27H,2-4,7,10,12-13H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyKFRDJKIAIKWGRP-IBGZPJMESA-N
MW372.43 g/mol
LogP1.28
Rot. Bonds6

About 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid

4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid (PubChem CID 124972771) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
PubChem CID124972771
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
SMILESCN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCC(=O)O
InChIInChI=1S/C19H24N4O4/c1-22(17(24)3-4-18(25)26)12-19(27)7-2-10-23(13-19)16-6-9-21-15-5-8-20-11-14(15)16/h5-6,8-9,11,27H,2-4,7,10,12-13H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyKFRDJKIAIKWGRP-IBGZPJMESA-N
XLogP1.28
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-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-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobut-2-enoic acid
CID 171146929
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
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
2-(1-acetamidocyclohexyl)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
CID 124987056
4-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124943896
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid (CID 124972771) is 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid is CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCC(=O)O.
What is the InChIKey of 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid?
The InChIKey is KFRDJKIAIKWGRP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O4/c1-22(17(24)3-4-18(25)26)12-19(27)7-2-10-23(13-19)16-6-9-21-15-5-8-20-11-14(15)16/h5-6,8-9,11,27H,2-4,7,10,12-13H2,1H3,(H,25,26)/t19-/m0/s1.
What are the key properties of 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid?
4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid has a molecular weight of 372.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 124972771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).