N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide

C20H22N4O2 — CID 71889289

IUPACN-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H22N4O2/c25-19(10-9-18-15-21-11-12-22-18)23-17-7-5-16(6-8-17)20(26)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14H2,(H,23,25)
InChIKeyWEZFNCMKLMVZSC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.14
Rot. Bonds4

About N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide

N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide (PubChem CID 71889289) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
PubChem CID71889289
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H22N4O2/c25-19(10-9-18-15-21-11-12-22-18)23-17-7-5-16(6-8-17)20(26)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14H2,(H,23,25)
InChIKeyWEZFNCMKLMVZSC-UHFFFAOYSA-N
XLogP3.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889315
N-(4-cyclopentylsulfanylphenyl)-3-pyrazin-2-ylprop-2-enamide
CID 71892731
(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
CID 75363586
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
CID 134556387
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 24655371
N-[4-(azepane-1-carbonyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55887105
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526
N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide
CID 134556324
N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 91942523
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387592

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide (CID 71889289) is N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide is O=C(C=Cc1cnccn1)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is WEZFNCMKLMVZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(10-9-18-15-21-11-12-22-18)23-17-7-5-16(6-8-17)20(26)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14H2,(H,23,25).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 71889289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).