2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C22H22N4O3S — CID 176506501

IUPAC2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCn1cc2c(c(C(=O)NCc3cccs3)c1=O)CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C22H22N4O3S/c1-25-13-16-14-26(19(27)10-15-4-2-7-23-11-15)8-6-18(16)20(22(25)29)21(28)24-12-17-5-3-9-30-17/h2-5,7,9,11,13H,6,8,10,12,14H2,1H3,(H,24,28)
InChIKeyRFKAUFVNLZDHQJ-UHFFFAOYSA-N
MW422.51 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 176506501) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID176506501
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCn1cc2c(c(C(=O)NCc3cccs3)c1=O)CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C22H22N4O3S/c1-25-13-16-14-26(19(27)10-15-4-2-7-23-11-15)8-6-18(16)20(22(25)29)21(28)24-12-17-5-3-9-30-17/h2-5,7,9,11,13H,6,8,10,12,14H2,1H3,(H,24,28)
InChIKeyRFKAUFVNLZDHQJ-UHFFFAOYSA-N
XLogP1.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 176506501) is 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is Cn1cc2c(c(C(=O)NCc3cccs3)c1=O)CCN(C(=O)Cc1cccnc1)C2.
What is the InChIKey of 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is RFKAUFVNLZDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-25-13-16-14-26(19(27)10-15-4-2-7-23-11-15)8-6-18(16)20(22(25)29)21(28)24-12-17-5-3-9-30-17/h2-5,7,9,11,13H,6,8,10,12,14H2,1H3,(H,24,28).
What are the key properties of 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 176506501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).