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

C20H24N6O2 — CID 90289235

IUPACN-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)NCCCCO)cc3n2)c1
InChIInChI=1S/C20H24N6O2/c1-13(2)14-10-19(26-23-12-14)25-18-6-5-16-17(24-18)9-15(11-22-16)20(28)21-7-3-4-8-27/h5-6,9-13,27H,3-4,7-8H2,1-2H3,(H,21,28)(H,24,25,26)
InChIKeyQSNXGXZHYKQGPI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.79
Rot. Bonds8

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

N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide (PubChem CID 90289235) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
PubChem CID90289235
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)NCCCCO)cc3n2)c1
InChIInChI=1S/C20H24N6O2/c1-13(2)14-10-19(26-23-12-14)25-18-6-5-16-17(24-18)9-15(11-22-16)20(28)21-7-3-4-8-27/h5-6,9-13,27H,3-4,7-8H2,1-2H3,(H,21,28)(H,24,25,26)
InChIKeyQSNXGXZHYKQGPI-UHFFFAOYSA-N
XLogP2.79
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-amino-2-(3-fluorophenyl)-N-(trans-3-hydroxycyclobutyl)-1,7-naphthyridine-5-carboxamide
CID 89730047
4-Amino-N-(trans-4-hydroxycyclohexyl)-7-(2-fluoro-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 68230695
US9586948, Example 17
CID 117872492
3-[[6-[1-[[6-(4-Phenylpyrazol-1-yl)-3-pyridinyl]amino]butyl]pyridine-3-carbonyl]amino]propanoic acid
CID 68178628
4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225108
4-amino-7-pyridin-4-yl-N-(2-pyridin-2-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225340
4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225378
(4-Amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 86766698
[3-(Aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone
CID 86766700
6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide
CID 118410835
US11440913, Example 191
CID 155074138
US11618753, Example 171
CID 155251801

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide (CID 90289235) is N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide is CC(C)c1cnnc(Nc2ccc3ncc(C(=O)NCCCCO)cc3n2)c1.
What is the InChIKey of N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
The InChIKey is QSNXGXZHYKQGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13(2)14-10-19(26-23-12-14)25-18-6-5-16-17(24-18)9-15(11-22-16)20(28)21-7-3-4-8-27/h5-6,9-13,27H,3-4,7-8H2,1-2H3,(H,21,28)(H,24,25,26).
What are the key properties of N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide?
N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 90289235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).