formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide

C20H30N6O5 — CID 171339105

IUPACformic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCN1CCN(CC(=O)NC2CCC(C(=O)NCCc3cnccn3)CC2)C1=O.O=CO
InChIInChI=1S/C19H28N6O3.CH2O2/c1-24-10-11-25(19(24)28)13-17(26)23-15-4-2-14(3-5-15)18(27)22-7-6-16-12-20-8-9-21-16;2-1-3/h8-9,12,14-15H,2-7,10-11,13H2,1H3,(H,22,27)(H,23,26);1H,(H,2,3)
InChIKeySCTZHYRZWUBCDB-UHFFFAOYSA-N
MW434.50 g/mol
LogP-0.12
Rot. Bonds7

About formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide

formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 171339105) has the molecular formula C20H30N6O5 and a molecular weight of 434.50 g/mol. Its IUPAC name is formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nameformic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID171339105
Molecular FormulaC20H30N6O5
Molecular Weight434.50 g/mol
Exact Mass434.23
IUPAC Nameformic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCN1CCN(CC(=O)NC2CCC(C(=O)NCCc3cnccn3)CC2)C1=O.O=CO
InChIInChI=1S/C19H28N6O3.CH2O2/c1-24-10-11-25(19(24)28)13-17(26)23-15-4-2-14(3-5-15)18(27)22-7-6-16-12-20-8-9-21-16;2-1-3/h8-9,12,14-15H,2-7,10-11,13H2,1H3,(H,22,27)(H,23,26);1H,(H,2,3)
InChIKeySCTZHYRZWUBCDB-UHFFFAOYSA-N
XLogP-0.12
TPSA144.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
CID 169414482
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
formic acid;(1S,3R,4R)-3-hydroxy-N-[2-(1-methylimidazol-2-yl)ethyl]-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 155971982
(3R,6S)-6-[(2-fluoro-6-methoxybenzoyl)amino]-1-methyl-N-(2-pyrazin-2-ylethyl)azepane-3-carboxamide
CID 175645658
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136586585
2-amino-N-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl]cyclohexyl]-1,3-thiazole-5-carboxamide;formic acid
CID 171713216
1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
CID 169420316
N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136587686
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide
CID 154876938
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
4-(but-3-enylamino)-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide dichloride
CID 10090644

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide (CID 171339105) is formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide is CN1CCN(CC(=O)NC2CCC(C(=O)NCCc3cnccn3)CC2)C1=O.O=CO.
What is the InChIKey of formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is SCTZHYRZWUBCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3.CH2O2/c1-24-10-11-25(19(24)28)13-17(26)23-15-4-2-14(3-5-15)18(27)22-7-6-16-12-20-8-9-21-16;2-1-3/h8-9,12,14-15H,2-7,10-11,13H2,1H3,(H,22,27)(H,23,26);1H,(H,2,3).
What are the key properties of formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide?
formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 434.50 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 171339105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).