1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide

C17H22N6O — CID 137035266

IUPAC1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc3cnn(C)c3c2)CN(C(C)=O)CC1
InChIInChI=1S/C17H22N6O/c1-11(24)23-7-6-15(19-2)14(10-23)17(18)21-13-5-4-12-9-20-22(3)16(12)8-13/h4-5,8-9,19H,6-7,10H2,1-3H3,(H2,18,21)
InChIKeyGNSUSHHTCPMSHQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.29
Rot. Bonds3

About 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide

1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 137035266) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide
PubChem CID137035266
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc3cnn(C)c3c2)CN(C(C)=O)CC1
InChIInChI=1S/C17H22N6O/c1-11(24)23-7-6-15(19-2)14(10-23)17(18)21-13-5-4-12-9-20-22(3)16(12)8-13/h4-5,8-9,19H,6-7,10H2,1-3H3,(H2,18,21)
InChIKeyGNSUSHHTCPMSHQ-UHFFFAOYSA-N
XLogP1.29
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 137035266) is 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccc3cnn(C)c3c2)CN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is GNSUSHHTCPMSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11(24)23-7-6-15(19-2)14(10-23)17(18)21-13-5-4-12-9-20-22(3)16(12)8-13/h4-5,8-9,19H,6-7,10H2,1-3H3,(H2,18,21).
What are the key properties of 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide?
1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 326.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(methylamino)-N'-(1-methylindazol-6-yl)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 137035266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).