N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine

C23H32N8 — CID 146400692

IUPACN-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine
SMILES[H]/N=C/C(CNCCCN(C)C)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C23H32N8/c1-16(2)17-11-23(30-27-15-17)29-22-7-6-20-21(28-22)10-18(14-26-20)19(12-24)13-25-8-5-9-31(3)4/h6-7,10-12,14-16,19,24-25H,5,8-9,13H2,1-4H3,(H,28,29,30)/b24-12+
InChIKeyVWKWPKATTUPWJZ-WYMPLXKRSA-N
MW420.57 g/mol
LogP3.56
Rot. Bonds11

About N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine

N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 146400692) has the molecular formula C23H32N8 and a molecular weight of 420.57 g/mol. Its IUPAC name is N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID146400692
Molecular FormulaC23H32N8
Molecular Weight420.57 g/mol
Exact Mass420.27
IUPAC NameN-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine
SMILES[H]/N=C/C(CNCCCN(C)C)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C23H32N8/c1-16(2)17-11-23(30-27-15-17)29-22-7-6-20-21(28-22)10-18(14-26-20)19(12-24)13-25-8-5-9-31(3)4/h6-7,10-12,14-16,19,24-25H,5,8-9,13H2,1-4H3,(H,28,29,30)/b24-12+
InChIKeyVWKWPKATTUPWJZ-WYMPLXKRSA-N
XLogP3.56
TPSA102.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine (CID 146400692) is N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine is [H]/N=C/C(CNCCCN(C)C)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.
What is the InChIKey of N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VWKWPKATTUPWJZ-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H32N8/c1-16(2)17-11-23(30-27-15-17)29-22-7-6-20-21(28-22)10-18(14-26-20)19(12-24)13-25-8-5-9-31(3)4/h6-7,10-12,14-16,19,24-25H,5,8-9,13H2,1-4H3,(H,28,29,30)/b24-12+.
What are the key properties of N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine?
N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 420.57 g/mol, XLogP of 3.56, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 146400692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).