[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid

C16H23N5O4 — CID 69483718

IUPAC[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)N(C)C)C(=O)O)ccc2C1
InChIInChI=1S/C16H23N5O4/c1-19(2)14(22)7-9-21(16(24)25)18-15(23)13-5-4-11-10-20(3)8-6-12(11)17-13/h4-5H,6-10H2,1-3H3,(H,18,23)(H,24,25)
InChIKeyIAJGDFWHOMFRSR-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.17
Rot. Bonds4

About [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid

[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid (PubChem CID 69483718) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid
PubChem CID69483718
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)N(C)C)C(=O)O)ccc2C1
InChIInChI=1S/C16H23N5O4/c1-19(2)14(22)7-9-21(16(24)25)18-15(23)13-5-4-11-10-20(3)8-6-12(11)17-13/h4-5H,6-10H2,1-3H3,(H,18,23)(H,24,25)
InChIKeyIAJGDFWHOMFRSR-UHFFFAOYSA-N
XLogP0.17
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid?
The IUPAC name of [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid (CID 69483718) is [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid.
What is the SMILES notation for [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid?
The canonical SMILES for [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid is CN1CCc2nc(C(=O)NN(CCC(=O)N(C)C)C(=O)O)ccc2C1.
What is the InChIKey of [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid?
The InChIKey is IAJGDFWHOMFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-19(2)14(22)7-9-21(16(24)25)18-15(23)13-5-4-11-10-20(3)8-6-12(11)17-13/h4-5H,6-10H2,1-3H3,(H,18,23)(H,24,25).
What are the key properties of [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid?
[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid has a molecular weight of 349.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid is sourced from PubChem (CID 69483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).