N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

C19H24N4 — CID 143813419

IUPACN-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESC=C/C=C(\C=C)C(C)Nc1cc(-c2cn[nH]c2C(C)C)ccn1
InChIInChI=1S/C19H24N4/c1-6-8-15(7-2)14(5)22-18-11-16(9-10-20-18)17-12-21-23-19(17)13(3)4/h6-14H,1-2H2,3-5H3,(H,20,22)(H,21,23)/b15-8+
InChIKeyRAPAXFAHOXLAGL-OVCLIPMQSA-N
MW308.43 g/mol
LogP4.69
Rot. Bonds7

About N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 143813419) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID143813419
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESC=C/C=C(\C=C)C(C)Nc1cc(-c2cn[nH]c2C(C)C)ccn1
InChIInChI=1S/C19H24N4/c1-6-8-15(7-2)14(5)22-18-11-16(9-10-20-18)17-12-21-23-19(17)13(3)4/h6-14H,1-2H2,3-5H3,(H,20,22)(H,21,23)/b15-8+
InChIKeyRAPAXFAHOXLAGL-OVCLIPMQSA-N
XLogP4.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)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 N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (CID 143813419) is N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is C=C/C=C(\C=C)C(C)Nc1cc(-c2cn[nH]c2C(C)C)ccn1.
What is the InChIKey of N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is RAPAXFAHOXLAGL-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H24N4/c1-6-8-15(7-2)14(5)22-18-11-16(9-10-20-18)17-12-21-23-19(17)13(3)4/h6-14H,1-2H2,3-5H3,(H,20,22)(H,21,23)/b15-8+.
What are the key properties of N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 308.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 143813419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).