N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine

C13H17N5 — CID 6208460

IUPACN-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine
SMILESCCn1nc(C)c(/C=N\Nc2ccncc2)c1C
InChIInChI=1S/C13H17N5/c1-4-18-11(3)13(10(2)17-18)9-15-16-12-5-7-14-8-6-12/h5-9H,4H2,1-3H3,(H,14,16)/b15-9-
InChIKeyDGDUUUYQDJGOCX-DHDCSXOGSA-N
MW243.31 g/mol
LogP2.36
Rot. Bonds4

About N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine

N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine (PubChem CID 6208460) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine
PubChem CID6208460
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine
SMILESCCn1nc(C)c(/C=N\Nc2ccncc2)c1C
InChIInChI=1S/C13H17N5/c1-4-18-11(3)13(10(2)17-18)9-15-16-12-5-7-14-8-6-12/h5-9H,4H2,1-3H3,(H,14,16)/b15-9-
InChIKeyDGDUUUYQDJGOCX-DHDCSXOGSA-N
XLogP2.36
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine?
The IUPAC name of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine (CID 6208460) is N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine is CCn1nc(C)c(/C=N\Nc2ccncc2)c1C.
What is the InChIKey of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine?
The InChIKey is DGDUUUYQDJGOCX-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-18-11(3)13(10(2)17-18)9-15-16-12-5-7-14-8-6-12/h5-9H,4H2,1-3H3,(H,14,16)/b15-9-.
What are the key properties of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine?
N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridin-4-amine is sourced from PubChem (CID 6208460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).