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

C16H21N5O3 — CID 154466620

IUPAC2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN1CCN(Cc2cnc3c(c2)CCC(C=O)N3C(N)=O)C(=O)C1
InChIInChI=1S/C16H21N5O3/c1-19-4-5-20(14(23)9-19)8-11-6-12-2-3-13(10-22)21(16(17)24)15(12)18-7-11/h6-7,10,13H,2-5,8-9H2,1H3,(H2,17,24)
InChIKeyQYFLACRBFDPQEP-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.25
Rot. Bonds3

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

2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 154466620) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID154466620
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCN1CCN(Cc2cnc3c(c2)CCC(C=O)N3C(N)=O)C(=O)C1
InChIInChI=1S/C16H21N5O3/c1-19-4-5-20(14(23)9-19)8-11-6-12-2-3-13(10-22)21(16(17)24)15(12)18-7-11/h6-7,10,13H,2-5,8-9H2,1H3,(H2,17,24)
InChIKeyQYFLACRBFDPQEP-UHFFFAOYSA-N
XLogP-0.25
TPSA99.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 154466620) is 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN1CCN(Cc2cnc3c(c2)CCC(C=O)N3C(N)=O)C(=O)C1.
What is the InChIKey of 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QYFLACRBFDPQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-19-4-5-20(14(23)9-19)8-11-6-12-2-3-13(10-22)21(16(17)24)15(12)18-7-11/h6-7,10,13H,2-5,8-9H2,1H3,(H2,17,24).
What are the key properties of 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 154466620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).