2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C18H27N5O4 — CID 160766328

IUPAC2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)C1CCc2cc(CN3CCN(C)CC3=O)cnc2N1C(N)=O
InChIInChI=1S/C18H27N5O4/c1-21-6-7-22(15(24)11-21)10-12-8-13-4-5-14(17(26-2)27-3)23(18(19)25)16(13)20-9-12/h8-9,14,17H,4-7,10-11H2,1-3H3,(H2,19,25)
InChIKeyRYSOOBZTGPIKOO-UHFFFAOYSA-N
MW377.45 g/mol
LogP0.17
Rot. Bonds5

About 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 160766328) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID160766328
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)C1CCc2cc(CN3CCN(C)CC3=O)cnc2N1C(N)=O
InChIInChI=1S/C18H27N5O4/c1-21-6-7-22(15(24)11-21)10-12-8-13-4-5-14(17(26-2)27-3)23(18(19)25)16(13)20-9-12/h8-9,14,17H,4-7,10-11H2,1-3H3,(H2,19,25)
InChIKeyRYSOOBZTGPIKOO-UHFFFAOYSA-N
XLogP0.17
TPSA101.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 160766328) is 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)C1CCc2cc(CN3CCN(C)CC3=O)cnc2N1C(N)=O.
What is the InChIKey of 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is RYSOOBZTGPIKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-21-6-7-22(15(24)11-21)10-12-8-13-4-5-14(17(26-2)27-3)23(18(19)25)16(13)20-9-12/h8-9,14,17H,4-7,10-11H2,1-3H3,(H2,19,25).
What are the key properties of 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 160766328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).