5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide

C18H26N4O3 — CID 125142371

IUPAC5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)C1
InChIInChI=1S/C18H26N4O3/c1-22(2)18(24)13-4-3-5-14(8-13)21-17(23)15-9-20-16(10-19-15)25-11-12-6-7-12/h9-10,12-14H,3-8,11H2,1-2H3,(H,21,23)/t13-,14+/m0/s1
InChIKeySIZSNZWINJSVGW-UONOGXRCSA-N
MW346.43 g/mol
LogP1.64
Rot. Bonds6

About 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide

5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide (PubChem CID 125142371) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide
PubChem CID125142371
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)C1
InChIInChI=1S/C18H26N4O3/c1-22(2)18(24)13-4-3-5-14(8-13)21-17(23)15-9-20-16(10-19-15)25-11-12-6-7-12/h9-10,12-14H,3-8,11H2,1-2H3,(H,21,23)/t13-,14+/m0/s1
InChIKeySIZSNZWINJSVGW-UONOGXRCSA-N
XLogP1.64
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide (CID 125142371) is 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide is CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)C1.
What is the InChIKey of 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is SIZSNZWINJSVGW-UONOGXRCSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-22(2)18(24)13-4-3-5-14(8-13)21-17(23)15-9-20-16(10-19-15)25-11-12-6-7-12/h9-10,12-14H,3-8,11H2,1-2H3,(H,21,23)/t13-,14+/m0/s1.
What are the key properties of 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide?
5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 125142371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).