N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

C19H24N6O — CID 139398826

IUPACN'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(-c3cnn(C)c3C)cc2)CN(C=O)CC1
InChIInChI=1S/C19H24N6O/c1-13-16(10-22-24(13)3)14-4-6-15(7-5-14)23-19(20)17-11-25(12-26)9-8-18(17)21-2/h4-7,10,12,21H,8-9,11H2,1-3H3,(H2,20,23)
InChIKeyFKGOQOCODPZTBW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.72
Rot. Bonds5

About N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 139398826) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

Compound NameN'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
PubChem CID139398826
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(-c3cnn(C)c3C)cc2)CN(C=O)CC1
InChIInChI=1S/C19H24N6O/c1-13-16(10-22-24(13)3)14-4-6-15(7-5-14)23-19(20)17-11-25(12-26)9-8-18(17)21-2/h4-7,10,12,21H,8-9,11H2,1-3H3,(H2,20,23)
InChIKeyFKGOQOCODPZTBW-UHFFFAOYSA-N
XLogP1.72
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 139398826) is N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccc(-c3cnn(C)c3C)cc2)CN(C=O)CC1.
What is the InChIKey of N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is FKGOQOCODPZTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-16(10-22-24(13)3)14-4-6-15(7-5-14)23-19(20)17-11-25(12-26)9-8-18(17)21-2/h4-7,10,12,21H,8-9,11H2,1-3H3,(H2,20,23).
What are the key properties of N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 352.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-1-formyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 139398826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).