5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide

C20H29N5O2 — CID 110153944

IUPAC5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
SMILESCN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)CCCCN
InChIInChI=1S/C20H29N5O2/c1-24(18(26)6-2-3-10-21)15-20(27)8-13-25(14-9-20)17-7-12-22-16-5-4-11-23-19(16)17/h4-5,7,11-12,27H,2-3,6,8-10,13-15,21H2,1H3
InChIKeyUDMIIOPHPNAROR-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.55
Rot. Bonds7

About 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide

5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide (PubChem CID 110153944) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
PubChem CID110153944
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
SMILESCN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)CCCCN
InChIInChI=1S/C20H29N5O2/c1-24(18(26)6-2-3-10-21)15-20(27)8-13-25(14-9-20)17-7-12-22-16-5-4-11-23-19(16)17/h4-5,7,11-12,27H,2-3,6,8-10,13-15,21H2,1H3
InChIKeyUDMIIOPHPNAROR-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide?
The IUPAC name of 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide (CID 110153944) is 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide.
What is the SMILES notation for 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide?
The canonical SMILES for 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide is CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)CCCCN.
What is the InChIKey of 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide?
The InChIKey is UDMIIOPHPNAROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-24(18(26)6-2-3-10-21)15-20(27)8-13-25(14-9-20)17-7-12-22-16-5-4-11-23-19(16)17/h4-5,7,11-12,27H,2-3,6,8-10,13-15,21H2,1H3.
What are the key properties of 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide?
5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide has a molecular weight of 371.49 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide is sourced from PubChem (CID 110153944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).