N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

C17H25N5O2 — CID 136586585

IUPACN-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C17H25N5O2/c23-16-2-1-10-22(16)11-9-20-17(24)13-3-5-14(6-4-13)21-15-12-18-7-8-19-15/h7-8,12-14H,1-6,9-11H2,(H,19,21)(H,20,24)
InChIKeyVLQOBQBCLVMCCI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 136586585) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
PubChem CID136586585
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C17H25N5O2/c23-16-2-1-10-22(16)11-9-20-17(24)13-3-5-14(6-4-13)21-15-12-18-7-8-19-15/h7-8,12-14H,1-6,9-11H2,(H,19,21)(H,20,24)
InChIKeyVLQOBQBCLVMCCI-UHFFFAOYSA-N
XLogP1.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136587686
4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 170511269
N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 138026646
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one
CID 110143461
N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide
CID 38029140
tert-butyl 3-[2-(2-oxoazepan-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 55688927
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide
CID 47191153
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (CID 136586585) is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is O=C(NCCN1CCCC1=O)C1CCC(Nc2cnccn2)CC1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is VLQOBQBCLVMCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16-2-1-10-22(16)11-9-20-17(24)13-3-5-14(6-4-13)21-15-12-18-7-8-19-15/h7-8,12-14H,1-6,9-11H2,(H,19,21)(H,20,24).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 136586585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).