5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide

C20H29N5O2 — CID 125008096

IUPAC5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide
SMILESCc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCCN)C3)c2n1
InChIInChI=1S/C20H29N5O2/c1-15-6-7-16-19(23-15)17(8-11-22-16)25-12-9-20(27,14-25)13-24(2)18(26)5-3-4-10-21/h6-8,11,27H,3-5,9-10,12-14,21H2,1-2H3/t20-/m1/s1
InChIKeyUSHPWPBZRPXPNS-HXUWFJFHSA-N
MW371.49 g/mol
LogP1.47
Rot. Bonds7

About 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide

5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide (PubChem CID 125008096) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide
PubChem CID125008096
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide
SMILESCc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCCN)C3)c2n1
InChIInChI=1S/C20H29N5O2/c1-15-6-7-16-19(23-15)17(8-11-22-16)25-12-9-20(27,14-25)13-24(2)18(26)5-3-4-10-21/h6-8,11,27H,3-5,9-10,12-14,21H2,1-2H3/t20-/m1/s1
InChIKeyUSHPWPBZRPXPNS-HXUWFJFHSA-N
XLogP1.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide
CID 124984438
5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
CID 110153845
5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
CID 110153944
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110158915
4-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobut-2-enoic acid
CID 171146926
4-[[(3R)-3-hydroxy-1-(1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124954904
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-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-3-[2-(methylamino)ethoxy]benzamide
CID 110155269
(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide
CID 110158369
5-[[(3R)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 125004730
4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride
CID 171688424

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide?
The IUPAC name of 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide (CID 125008096) is 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide.
What is the SMILES notation for 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide?
The canonical SMILES for 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide is Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCCN)C3)c2n1.
What is the InChIKey of 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide?
The InChIKey is USHPWPBZRPXPNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-6-7-16-19(23-15)17(8-11-22-16)25-12-9-20(27,14-25)13-24(2)18(26)5-3-4-10-21/h6-8,11,27H,3-5,9-10,12-14,21H2,1-2H3/t20-/m1/s1.
What are the key properties of 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide?
5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide has a molecular weight of 371.49 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide is sourced from PubChem (CID 125008096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).