N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide

C24H33N5O2 — CID 53041392

IUPACN-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide
SMILESCCCCN(NC(=O)c1cnccn1)C(C(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H33N5O2/c1-2-3-16-29(28-23(30)21-18-25-14-15-26-21)22(20-12-8-5-9-13-20)24(31)27-17-19-10-6-4-7-11-19/h4,6-7,10-11,14-15,18,20,22H,2-3,5,8-9,12-13,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyGFMJUZDBZIFMQD-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.49
Rot. Bonds10

About N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide

N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide (PubChem CID 53041392) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide
PubChem CID53041392
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide
SMILESCCCCN(NC(=O)c1cnccn1)C(C(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H33N5O2/c1-2-3-16-29(28-23(30)21-18-25-14-15-26-21)22(20-12-8-5-9-13-20)24(31)27-17-19-10-6-4-7-11-19/h4,6-7,10-11,14-15,18,20,22H,2-3,5,8-9,12-13,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyGFMJUZDBZIFMQD-UHFFFAOYSA-N
XLogP3.49
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzyl-2-cyclohexyl-2-[3-methylbutyl-(pyrazine-2-carbonylamino)amino]acetamide
CID 95058623
(2S)-2-[butyl-(pyrazine-2-carbonylamino)amino]-N-(2-methoxyethyl)pentanamide
CID 95058633
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
CID 95292177
N-[3-(benzylamino)-3-oxo-1,2-dithiophen-2-ylpropyl]pyrazine-2-carboxamide
CID 21156827
N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 155088094
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(2,2-dibenzylhydrazinyl)-1,2-dioxohexan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 11320419
N-[2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-phenylpyrazine-2-carboxamide
CID 3188494
N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide
CID 142959999
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 1167506
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide
CID 23910969
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide?
The IUPAC name of N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide (CID 53041392) is N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide.
What is the SMILES notation for N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide?
The canonical SMILES for N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide is CCCCN(NC(=O)c1cnccn1)C(C(=O)NCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide?
The InChIKey is GFMJUZDBZIFMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-2-3-16-29(28-23(30)21-18-25-14-15-26-21)22(20-12-8-5-9-13-20)24(31)27-17-19-10-6-4-7-11-19/h4,6-7,10-11,14-15,18,20,22H,2-3,5,8-9,12-13,16-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide?
N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide has a molecular weight of 423.56 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[butyl-(pyrazine-2-carbonylamino)amino]-2-cyclohexylacetamide is sourced from PubChem (CID 53041392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).