N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide

C19H16N6O — CID 138590612

IUPACN-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
SMILESCn1cc(-c2cnc3cnc(NC(=O)Cc4ccncc4)cc3c2)cn1
InChIInChI=1S/C19H16N6O/c1-25-12-16(10-23-25)15-7-14-8-18(22-11-17(14)21-9-15)24-19(26)6-13-2-4-20-5-3-13/h2-5,7-12H,6H2,1H3,(H,22,24,26)
InChIKeyTUEBCGHTVNQIJB-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.61
Rot. Bonds4

About N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide

N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide (PubChem CID 138590612) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
PubChem CID138590612
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
SMILESCn1cc(-c2cnc3cnc(NC(=O)Cc4ccncc4)cc3c2)cn1
InChIInChI=1S/C19H16N6O/c1-25-12-16(10-23-25)15-7-14-8-18(22-11-17(14)21-9-15)24-19(26)6-13-2-4-20-5-3-13/h2-5,7-12H,6H2,1H3,(H,22,24,26)
InChIKeyTUEBCGHTVNQIJB-UHFFFAOYSA-N
XLogP2.61
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide (CID 138590612) is N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide is Cn1cc(-c2cnc3cnc(NC(=O)Cc4ccncc4)cc3c2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide?
The InChIKey is TUEBCGHTVNQIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-25-12-16(10-23-25)15-7-14-8-18(22-11-17(14)21-9-15)24-19(26)6-13-2-4-20-5-3-13/h2-5,7-12H,6H2,1H3,(H,22,24,26).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide?
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide has a molecular weight of 344.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 138590612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).