N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide

C18H22N4O — CID 124887001

IUPACN-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCN1C[C@H](NC(=O)CCc2cnccn2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N4O/c1-22-12-16(14-5-3-2-4-6-14)17(13-22)21-18(23)8-7-15-11-19-9-10-20-15/h2-6,9-11,16-17H,7-8,12-13H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyIWJIQQNJVKVLSK-IRXDYDNUSA-N
MW310.40 g/mol
LogP1.62
Rot. Bonds5

About N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide

N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 124887001) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
PubChem CID124887001
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCN1C[C@H](NC(=O)CCc2cnccn2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N4O/c1-22-12-16(14-5-3-2-4-6-14)17(13-22)21-18(23)8-7-15-11-19-9-10-20-15/h2-6,9-11,16-17H,7-8,12-13H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyIWJIQQNJVKVLSK-IRXDYDNUSA-N
XLogP1.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide (CID 124887001) is N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide is CN1C[C@H](NC(=O)CCc2cnccn2)[C@H](c2ccccc2)C1.
What is the InChIKey of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The InChIKey is IWJIQQNJVKVLSK-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22-12-16(14-5-3-2-4-6-14)17(13-22)21-18(23)8-7-15-11-19-9-10-20-15/h2-6,9-11,16-17H,7-8,12-13H2,1H3,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 124887001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).