7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C20H23N7 — CID 144665115

IUPAC7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C20H23N7/c1-11(2)14-8-19(27-24-10-14)26-18-6-5-16-17(25-18)7-15(9-23-16)20(12(3)21)13(4)22/h5-11,21H,22H2,1-4H3,(H,25,26,27)/b20-13+,21-12+
InChIKeyBZXXFKVQMAKDAU-KVDUHBSMSA-N
MW361.45 g/mol
LogP4.02
Rot. Bonds5

About 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 144665115) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID144665115
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C20H23N7/c1-11(2)14-8-19(27-24-10-14)26-18-6-5-16-17(25-18)7-15(9-23-16)20(12(3)21)13(4)22/h5-11,21H,22H2,1-4H3,(H,25,26,27)/b20-13+,21-12+
InChIKeyBZXXFKVQMAKDAU-KVDUHBSMSA-N
XLogP4.02
TPSA113.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.02
H-Bond Donors ≤ 53
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-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 144665115) is 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is [H]/N=C(C)/C(=C(/C)N)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.
What is the InChIKey of 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is BZXXFKVQMAKDAU-KVDUHBSMSA-N. The full InChI is InChI=1S/C20H23N7/c1-11(2)14-8-19(27-24-10-14)26-18-6-5-16-17(25-18)7-15(9-23-16)20(12(3)21)13(4)22/h5-11,21H,22H2,1-4H3,(H,25,26,27)/b20-13+,21-12+.
What are the key properties of 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 144665115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).