N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C17H25N5O4 — CID 72908397

IUPACN-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnccn2)CN1C(=O)CCOCC
InChIInChI=1S/C17H25N5O4/c1-3-19-17(25)14-9-12(11-22(14)15(23)5-8-26-4-2)21-16(24)13-10-18-6-7-20-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,19,25)(H,21,24)/t12-,14-/m0/s1
InChIKeyKGPMBOSITRTEAZ-JSGCOSHPSA-N
MW363.42 g/mol
LogP-0.26
Rot. Bonds8

About N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 72908397) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID72908397
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC NameN-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnccn2)CN1C(=O)CCOCC
InChIInChI=1S/C17H25N5O4/c1-3-19-17(25)14-9-12(11-22(14)15(23)5-8-26-4-2)21-16(24)13-10-18-6-7-20-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,19,25)(H,21,24)/t12-,14-/m0/s1
InChIKeyKGPMBOSITRTEAZ-JSGCOSHPSA-N
XLogP-0.26
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72917004
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 72868430
(2S,4S)-N-ethyl-1-(3-methylsulfanylpropanoyl)-4-[(2-pyridin-3-ylacetyl)amino]pyrrolidine-2-carboxamide
CID 72935961
N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
CID 156604350
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
CID 89460399
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide
CID 156604328
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 72933843
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 72890602
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-propylsulfanylacetyl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 72881104
(2S,4S)-N-ethyl-4-[(5-methylthiophene-3-carbonyl)amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72842223
N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 72855563

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 72908397) is N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnccn2)CN1C(=O)CCOCC.
What is the InChIKey of N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is KGPMBOSITRTEAZ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-3-19-17(25)14-9-12(11-22(14)15(23)5-8-26-4-2)21-16(24)13-10-18-6-7-20-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,19,25)(H,21,24)/t12-,14-/m0/s1.
What are the key properties of N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-(3-ethoxypropanoyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 72908397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).