4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide

C17H23N5O2 — CID 110153839

IUPAC4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide
SMILESNCCCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)C1
InChIInChI=1S/C17H23N5O2/c18-6-1-2-16(23)21-11-17(24)5-9-22(12-17)15-4-8-20-14-3-7-19-10-13(14)15/h3-4,7-8,10,24H,1-2,5-6,9,11-12,18H2,(H,21,23)
InChIKeyFCSVWCGCMQZJGH-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.43
Rot. Bonds6

About 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide

4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide (PubChem CID 110153839) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide
PubChem CID110153839
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide
SMILESNCCCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)C1
InChIInChI=1S/C17H23N5O2/c18-6-1-2-16(23)21-11-17(24)5-9-22(12-17)15-4-8-20-14-3-7-19-10-13(14)15/h3-4,7-8,10,24H,1-2,5-6,9,11-12,18H2,(H,21,23)
InChIKeyFCSVWCGCMQZJGH-UHFFFAOYSA-N
XLogP0.43
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid
CID 110153849
4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 125014600
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 110153883
4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
CID 110154305
5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
CID 110153845
5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125017134
4-amino-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 125020027
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 110153899
3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide
CID 110154304
4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide
CID 155987963
2-[3-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylcarbamoyl]phenoxy]acetic acid
CID 124966436
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide
CID 155989816

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide (CID 110153839) is 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide is NCCCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)C1.
What is the InChIKey of 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The InChIKey is FCSVWCGCMQZJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-6-1-2-16(23)21-11-17(24)5-9-22(12-17)15-4-8-20-14-3-7-19-10-13(14)15/h3-4,7-8,10,24H,1-2,5-6,9,11-12,18H2,(H,21,23).
What are the key properties of 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide has a molecular weight of 329.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 110153839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).