1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide

C20H21N3O2 — CID 86806745

IUPAC1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESC#CCC1(C(=O)Nc2cccc(Oc3cnccn3)c2)CCCCC1
InChIInChI=1S/C20H21N3O2/c1-2-9-20(10-4-3-5-11-20)19(24)23-16-7-6-8-17(14-16)25-18-15-21-12-13-22-18/h1,6-8,12-15H,3-5,9-11H2,(H,23,24)
InChIKeyCCLHNBJBGVFPCC-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.18
Rot. Bonds5

About 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide

1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide (PubChem CID 86806745) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide
PubChem CID86806745
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESC#CCC1(C(=O)Nc2cccc(Oc3cnccn3)c2)CCCCC1
InChIInChI=1S/C20H21N3O2/c1-2-9-20(10-4-3-5-11-20)19(24)23-16-7-6-8-17(14-16)25-18-15-21-12-13-22-18/h1,6-8,12-15H,3-5,9-11H2,(H,23,24)
InChIKeyCCLHNBJBGVFPCC-UHFFFAOYSA-N
XLogP4.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119287655
1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 155955394
4-methoxy-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119720324
N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119287653
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
N-(3-pyrazin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119720300
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
7-fluoro-2-oxo-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929909
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
CID 80588714
N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 46468453

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide (CID 86806745) is 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide is C#CCC1(C(=O)Nc2cccc(Oc3cnccn3)c2)CCCCC1.
What is the InChIKey of 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is CCLHNBJBGVFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-9-20(10-4-3-5-11-20)19(24)23-16-7-6-8-17(14-16)25-18-15-21-12-13-22-18/h1,6-8,12-15H,3-5,9-11H2,(H,23,24).
What are the key properties of 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide?
1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-N-(3-pyrazin-2-yloxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86806745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).