6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide

C21H19N7O — CID 90289097

IUPAC6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)Nc4ccncc4)cc3n2)c1
InChIInChI=1S/C21H19N7O/c1-13(2)14-10-20(28-24-12-14)27-19-4-3-17-18(26-19)9-15(11-23-17)21(29)25-16-5-7-22-8-6-16/h3-13H,1-2H3,(H,22,25,29)(H,26,27,28)
InChIKeyYAQWJFPZNICXRF-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.93
Rot. Bonds5

About 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide

6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide (PubChem CID 90289097) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide
PubChem CID90289097
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)Nc4ccncc4)cc3n2)c1
InChIInChI=1S/C21H19N7O/c1-13(2)14-10-20(28-24-12-14)27-19-4-3-17-18(26-19)9-15(11-23-17)21(29)25-16-5-7-22-8-6-16/h3-13H,1-2H3,(H,22,25,29)(H,26,27,28)
InChIKeyYAQWJFPZNICXRF-UHFFFAOYSA-N
XLogP3.93
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide (CID 90289097) is 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide is CC(C)c1cnnc(Nc2ccc3ncc(C(=O)Nc4ccncc4)cc3n2)c1.
What is the InChIKey of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide?
The InChIKey is YAQWJFPZNICXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-13(2)14-10-20(28-24-12-14)27-19-4-3-17-18(26-19)9-15(11-23-17)21(29)25-16-5-7-22-8-6-16/h3-13H,1-2H3,(H,22,25,29)(H,26,27,28).
What are the key properties of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide?
6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 90289097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).