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7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C17H18N4O2 — CID 112522226

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)NCc2ccncc2)C1
InChIInChI=1S/C17H18N4O2/c1-12(22)21-7-4-15-14(11-21)9-19-10-16(15)17(23)20-8-13-2-5-18-6-3-13/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,20,23)
InChIKeyVNSJLYGRGJSBJK-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.31
Rot. Bonds3

About 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112522226) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112522226
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)NCc2ccncc2)C1
InChIInChI=1S/C17H18N4O2/c1-12(22)21-7-4-15-14(11-21)9-19-10-16(15)17(23)20-8-13-2-5-18-6-3-13/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,20,23)
InChIKeyVNSJLYGRGJSBJK-UHFFFAOYSA-N
XLogP1.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112522226) is 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CC(=O)N1CCc2c(cncc2C(=O)NCc2ccncc2)C1.
What is the InChIKey of 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is VNSJLYGRGJSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(22)21-7-4-15-14(11-21)9-19-10-16(15)17(23)20-8-13-2-5-18-6-3-13/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,20,23).
What are the key properties of 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112522226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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