7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C22H27N7 — CID 154440671

IUPAC7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/C(C)(C)C)cc3n2)c1
InChIInChI=1S/C22H27N7/c1-14(2)15-9-21(29-26-13-15)28-20-7-6-18-19(27-20)8-16(11-24-18)17(10-23)12-25-22(3,4)5/h6-14H,23H2,1-5H3,(H,27,28,29)/b17-10?,25-12+
InChIKeyNWHAAYWVMGUCQQ-LCPVPBOPSA-N
MW389.51 g/mol
LogP4.46
Rot. Bonds5

About 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 154440671) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID154440671
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/C(C)(C)C)cc3n2)c1
InChIInChI=1S/C22H27N7/c1-14(2)15-9-21(29-26-13-15)28-20-7-6-18-19(27-20)8-16(11-24-18)17(10-23)12-25-22(3,4)5/h6-14H,23H2,1-5H3,(H,27,28,29)/b17-10?,25-12+
InChIKeyNWHAAYWVMGUCQQ-LCPVPBOPSA-N
XLogP4.46
TPSA101.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 154440671) is 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/C(C)(C)C)cc3n2)c1.
What is the InChIKey of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is NWHAAYWVMGUCQQ-LCPVPBOPSA-N. The full InChI is InChI=1S/C22H27N7/c1-14(2)15-9-21(29-26-13-15)28-20-7-6-18-19(27-20)8-16(11-24-18)17(10-23)12-25-22(3,4)5/h6-14H,23H2,1-5H3,(H,27,28,29)/b17-10?,25-12+.
What are the key properties of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 389.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 154440671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).