N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide

C20H24N4O2 — CID 53185662

IUPACN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCCOc1nccnc1N1CCC(NC(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C20H24N4O2/c1-2-26-18-17(21-11-12-22-18)24-13-8-16(14-24)23-19(25)20(9-10-20)15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13-14H2,1H3,(H,23,25)
InChIKeyWHLFCHIUOQWSQN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.30
Rot. Bonds6

About N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide

N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 53185662) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID53185662
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCCOc1nccnc1N1CCC(NC(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C20H24N4O2/c1-2-26-18-17(21-11-12-22-18)24-13-8-16(14-24)23-19(25)20(9-10-20)15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13-14H2,1H3,(H,23,25)
InChIKeyWHLFCHIUOQWSQN-UHFFFAOYSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
CID 53185666
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338
1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 75382089
N-[(3S)-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 95107733
[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol
CID 126804917
N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 95580679
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295
N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 97104559
1-(4-methoxyphenyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 95713073
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 91631973
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide (CID 53185662) is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide is CCOc1nccnc1N1CCC(NC(=O)C2(c3ccccc3)CC2)C1.
What is the InChIKey of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is WHLFCHIUOQWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-26-18-17(21-11-12-22-18)24-13-8-16(14-24)23-19(25)20(9-10-20)15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13-14H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide?
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 53185662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).