N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide

C15H21N3O — CID 155354753

IUPACN-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide
SMILESC/C=C\C(=C/CC)CC(C)NC(=O)c1cnccn1
InChIInChI=1S/C15H21N3O/c1-4-6-13(7-5-2)10-12(3)18-15(19)14-11-16-8-9-17-14/h4,6-9,11-12H,5,10H2,1-3H3,(H,18,19)/b6-4-,13-7+
InChIKeyDOKDPANBOFYDHO-FMEHWCPISA-N
MW259.35 g/mol
LogP2.90
Rot. Bonds6

About N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide

N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide (PubChem CID 155354753) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide
PubChem CID155354753
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide
SMILESC/C=C\C(=C/CC)CC(C)NC(=O)c1cnccn1
InChIInChI=1S/C15H21N3O/c1-4-6-13(7-5-2)10-12(3)18-15(19)14-11-16-8-9-17-14/h4,6-9,11-12H,5,10H2,1-3H3,(H,18,19)/b6-4-,13-7+
InChIKeyDOKDPANBOFYDHO-FMEHWCPISA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide 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-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide (CID 155354753) is N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide is C/C=C\C(=C/CC)CC(C)NC(=O)c1cnccn1.
What is the InChIKey of N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is DOKDPANBOFYDHO-FMEHWCPISA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-6-13(7-5-2)10-12(3)18-15(19)14-11-16-8-9-17-14/h4,6-9,11-12H,5,10H2,1-3H3,(H,18,19)/b6-4-,13-7+.
What are the key properties of N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide?
N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[(Z)-prop-1-enyl]hept-4-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155354753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).