1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide

C16H21N5O4 — CID 141445686

IUPAC1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)NCCCNC(=O)c1cc2cc[nH]c(=O)c2c(=O)[nH]1
InChIInChI=1S/C16H21N5O4/c1-9(2)20-16(25)19-6-3-5-17-13(22)11-8-10-4-7-18-14(23)12(10)15(24)21-11/h4,7-9H,3,5-6H2,1-2H3,(H,17,22)(H,18,23)(H,21,24)(H2,19,20,25)
InChIKeySZWLFNHHBBPPHL-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.04
Rot. Bonds6

About 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide

1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide (PubChem CID 141445686) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide
PubChem CID141445686
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)NCCCNC(=O)c1cc2cc[nH]c(=O)c2c(=O)[nH]1
InChIInChI=1S/C16H21N5O4/c1-9(2)20-16(25)19-6-3-5-17-13(22)11-8-10-4-7-18-14(23)12(10)15(24)21-11/h4,7-9H,3,5-6H2,1-2H3,(H,17,22)(H,18,23)(H,21,24)(H2,19,20,25)
InChIKeySZWLFNHHBBPPHL-UHFFFAOYSA-N
XLogP0.04
TPSA135.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
The IUPAC name of 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide (CID 141445686) is 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide is CC(C)NC(=O)NCCCNC(=O)c1cc2cc[nH]c(=O)c2c(=O)[nH]1.
What is the InChIKey of 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
The InChIKey is SZWLFNHHBBPPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-9(2)20-16(25)19-6-3-5-17-13(22)11-8-10-4-7-18-14(23)12(10)15(24)21-11/h4,7-9H,3,5-6H2,1-2H3,(H,17,22)(H,18,23)(H,21,24)(H2,19,20,25).
What are the key properties of 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide?
1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 0.04, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dioxo-N-[3-(propan-2-ylcarbamoylamino)propyl]-2,7-dihydro-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 141445686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).