6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

C18H23N5O2 — CID 91949133

IUPAC6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)C1CN(C(C)=O)Cc2cccnc21
InChIInChI=1S/C18H23N5O2/c1-4-8-23-16(9-12(2)21-23)20-18(25)15-11-22(13(3)24)10-14-6-5-7-19-17(14)15/h5-7,9,15H,4,8,10-11H2,1-3H3,(H,20,25)
InChIKeyHIWHDILBZIVCJS-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.08
Rot. Bonds4

About 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (PubChem CID 91949133) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
PubChem CID91949133
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)C1CN(C(C)=O)Cc2cccnc21
InChIInChI=1S/C18H23N5O2/c1-4-8-23-16(9-12(2)21-23)20-18(25)15-11-22(13(3)24)10-14-6-5-7-19-17(14)15/h5-7,9,15H,4,8,10-11H2,1-3H3,(H,20,25)
InChIKeyHIWHDILBZIVCJS-UHFFFAOYSA-N
XLogP2.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (CID 91949133) is 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is CCCn1nc(C)cc1NC(=O)C1CN(C(C)=O)Cc2cccnc21.
What is the InChIKey of 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The InChIKey is HIWHDILBZIVCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-8-23-16(9-12(2)21-23)20-18(25)15-11-22(13(3)24)10-14-6-5-7-19-17(14)15/h5-7,9,15H,4,8,10-11H2,1-3H3,(H,20,25).
What are the key properties of 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).