N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide

C18H29N5O2 — CID 90638058

IUPACN-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
SMILESCN(C)c1cncc(OC2CCN(C(=O)NC3CCCCCC3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-22(2)16-11-19-12-17(21-16)25-15-9-10-23(13-15)18(24)20-14-7-5-3-4-6-8-14/h11-12,14-15H,3-10,13H2,1-2H3,(H,20,24)
InChIKeyQRTYORAPYMAVGO-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.43
Rot. Bonds4

About N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide

N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide (PubChem CID 90638058) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
PubChem CID90638058
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
SMILESCN(C)c1cncc(OC2CCN(C(=O)NC3CCCCCC3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-22(2)16-11-19-12-17(21-16)25-15-9-10-23(13-15)18(24)20-14-7-5-3-4-6-8-14/h11-12,14-15H,3-10,13H2,1-2H3,(H,20,24)
InChIKeyQRTYORAPYMAVGO-UHFFFAOYSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 90637761
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
4-chloro-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]butan-1-one
CID 90637772
N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 90638060
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-ethoxyethanone
CID 91627081
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035
(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 100615889
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
The IUPAC name of N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide (CID 90638058) is N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide is CN(C)c1cncc(OC2CCN(C(=O)NC3CCCCCC3)C2)n1.
What is the InChIKey of N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
The InChIKey is QRTYORAPYMAVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22(2)16-11-19-12-17(21-16)25-15-9-10-23(13-15)18(24)20-14-7-5-3-4-6-8-14/h11-12,14-15H,3-10,13H2,1-2H3,(H,20,24).
What are the key properties of N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide?
N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90638058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).