5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide

C18H22N4O — CID 95595921

IUPAC5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cn1
InChIInChI=1S/C18H22N4O/c1-14-11-20-16(12-19-14)18(23)21-17(13-22-9-5-6-10-22)15-7-3-2-4-8-15/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyCSZUXDDJHORYNR-KRWDZBQOSA-N
MW310.40 g/mol
LogP2.35
Rot. Bonds5

About 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide

5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide (PubChem CID 95595921) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
PubChem CID95595921
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cn1
InChIInChI=1S/C18H22N4O/c1-14-11-20-16(12-19-14)18(23)21-17(13-22-9-5-6-10-22)15-7-3-2-4-8-15/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyCSZUXDDJHORYNR-KRWDZBQOSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96581160
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
5-[(3-methyl-1-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684810
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
5-methyl-N-[1-phenyl-2-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]pyrazine-2-carboxamide
CID 123335524
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide (CID 95595921) is 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide?
The InChIKey is CSZUXDDJHORYNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-11-20-16(12-19-14)18(23)21-17(13-22-9-5-6-10-22)15-7-3-2-4-8-15/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide?
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 95595921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).