6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide

C22H23N5O2 — CID 178182098

IUPAC6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])Cc1cc2ncc(CN3CC=C(c4ccc(C(N)=O)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H23N5O2/c1-2-15-10-19-20(26-22(15)29)9-14(11-24-19)13-27-7-5-16(6-8-27)18-4-3-17(12-25-18)21(23)28/h3-5,9-12H,2,6-8,13H2,1H3,(H2,23,28)(H,26,29)/i1D3
InChIKeyKVWNBVUDSPNXCL-FIBGUPNXSA-N
MW392.48 g/mol
LogP2.27
Rot. Bonds6

About 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide

6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide (PubChem CID 178182098) has the molecular formula C22H23N5O2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
PubChem CID178182098
Molecular FormulaC22H23N5O2
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])Cc1cc2ncc(CN3CC=C(c4ccc(C(N)=O)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H23N5O2/c1-2-15-10-19-20(26-22(15)29)9-14(11-24-19)13-27-7-5-16(6-8-27)18-4-3-17(12-25-18)21(23)28/h3-5,9-12H,2,6-8,13H2,1H3,(H2,23,28)(H,26,29)/i1D3
InChIKeyKVWNBVUDSPNXCL-FIBGUPNXSA-N
XLogP2.27
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide (CID 178182098) is 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide is [2H]C([2H])([2H])Cc1cc2ncc(CN3CC=C(c4ccc(C(N)=O)cn4)CC3)cc2[nH]c1=O.
What is the InChIKey of 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
The InChIKey is KVWNBVUDSPNXCL-FIBGUPNXSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-15-10-19-20(26-22(15)29)9-14(11-24-19)13-27-7-5-16(6-8-27)18-4-3-17(12-25-18)21(23)28/h3-5,9-12H,2,6-8,13H2,1H3,(H2,23,28)(H,26,29)/i1D3.
What are the key properties of 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide?
6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 178182098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).