(3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine

C23H32N6 — CID 142860140

IUPAC(3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine
SMILES[H]/N=C1/C(C2C(C(=C)CCC)=C(C3CCN(C)CC3)N=C(N)/C2=C\N)=CC=C/C1=N\[H]
InChIInChI=1S/C23H32N6/c1-4-6-14(2)19-20(16-7-5-8-18(25)21(16)26)17(13-24)23(27)28-22(19)15-9-11-29(3)12-10-15/h5,7-8,13,15,20,25-26H,2,4,6,9-12,24H2,1,3H3,(H2,27,28)/b17-13-,25-18+,26-21-
InChIKeyKYEHIEHABSIYAR-XUBAGFEZSA-N
MW392.55 g/mol
LogP3.30
Rot. Bonds5

About (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine

(3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine (PubChem CID 142860140) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine.

Molecular Properties

Compound Name(3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine
PubChem CID142860140
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name(3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine
SMILES[H]/N=C1/C(C2C(C(=C)CCC)=C(C3CCN(C)CC3)N=C(N)/C2=C\N)=CC=C/C1=N\[H]
InChIInChI=1S/C23H32N6/c1-4-6-14(2)19-20(16-7-5-8-18(25)21(16)26)17(13-24)23(27)28-22(19)15-9-11-29(3)12-10-15/h5,7-8,13,15,20,25-26H,2,4,6,9-12,24H2,1,3H3,(H2,27,28)/b17-13-,25-18+,26-21-
InChIKeyKYEHIEHABSIYAR-XUBAGFEZSA-N
XLogP3.30
TPSA115.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine?
The IUPAC name of (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine (CID 142860140) is (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine.
What is the SMILES notation for (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine?
The canonical SMILES for (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine is [H]/N=C1/C(C2C(C(=C)CCC)=C(C3CCN(C)CC3)N=C(N)/C2=C\N)=CC=C/C1=N\[H].
What is the InChIKey of (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine?
The InChIKey is KYEHIEHABSIYAR-XUBAGFEZSA-N. The full InChI is InChI=1S/C23H32N6/c1-4-6-14(2)19-20(16-7-5-8-18(25)21(16)26)17(13-24)23(27)28-22(19)15-9-11-29(3)12-10-15/h5,7-8,13,15,20,25-26H,2,4,6,9-12,24H2,1,3H3,(H2,27,28)/b17-13-,25-18+,26-21-.
What are the key properties of (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine?
(3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine has a molecular weight of 392.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(aminomethylidene)-4-(5,6-diiminocyclohexa-1,3-dien-1-yl)-6-(1-methylpiperidin-4-yl)-5-pent-1-en-2-yl-4H-pyridin-2-amine is sourced from PubChem (CID 142860140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).