1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide

C18H22N4O2 — CID 155955394

IUPAC1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCC(N)(C(=O)Nc2cccc(Oc3cnccn3)c2)C1
InChIInChI=1S/C18H22N4O2/c1-17(2)6-7-18(19,12-17)16(23)22-13-4-3-5-14(10-13)24-15-11-20-8-9-21-15/h3-5,8-11H,6-7,12,19H2,1-2H3,(H,22,23)
InChIKeyVVIQNSWWSQYLHW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.12
Rot. Bonds4

About 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide

1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide (PubChem CID 155955394) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide
PubChem CID155955394
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCC(N)(C(=O)Nc2cccc(Oc3cnccn3)c2)C1
InChIInChI=1S/C18H22N4O2/c1-17(2)6-7-18(19,12-17)16(23)22-13-4-3-5-14(10-13)24-15-11-20-8-9-21-15/h3-5,8-11H,6-7,12,19H2,1-2H3,(H,22,23)
InChIKeyVVIQNSWWSQYLHW-UHFFFAOYSA-N
XLogP3.12
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-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 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide (CID 155955394) is 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide is CC1(C)CCC(N)(C(=O)Nc2cccc(Oc3cnccn3)c2)C1.
What is the InChIKey of 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is VVIQNSWWSQYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-17(2)6-7-18(19,12-17)16(23)22-13-4-3-5-14(10-13)24-15-11-20-8-9-21-15/h3-5,8-11H,6-7,12,19H2,1-2H3,(H,22,23).
What are the key properties of 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide?
1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 155955394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).