cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide

C15H21N3O — CID 164638265

IUPACcis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)C[C@H]1C[C@@H]1C(=O)Nc1nccnc1C1CC1
InChIInChI=1S/C15H21N3O/c1-9(2)7-11-8-12(11)15(19)18-14-13(10-3-4-10)16-5-6-17-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyRSJMWLMCUDJKNZ-RYUDHWBXSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds5

About cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide

cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 164638265) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID164638265
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Namecis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)C[C@H]1C[C@@H]1C(=O)Nc1nccnc1C1CC1
InChIInChI=1S/C15H21N3O/c1-9(2)7-11-8-12(11)15(19)18-14-13(10-3-4-10)16-5-6-17-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,18,19)/t11-,12-/m0/s1
InChIKeyRSJMWLMCUDJKNZ-RYUDHWBXSA-N
XLogP2.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide (CID 164638265) is cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide is CC(C)C[C@H]1C[C@@H]1C(=O)Nc1nccnc1C1CC1.
What is the InChIKey of cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is RSJMWLMCUDJKNZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9(2)7-11-8-12(11)15(19)18-14-13(10-3-4-10)16-5-6-17-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,17,18,19)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide?
cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(3-cyclopropylpyrazin-2-yl)-2-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164638265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).