N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C21H28N4O3 — CID 3242935

IUPACN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C21H28N4O3/c1-3-21(2,20(27)24-16-8-5-4-6-9-16)25(15-17-10-7-13-28-17)19(26)18-14-22-11-12-23-18/h7,10-14,16H,3-6,8-9,15H2,1-2H3,(H,24,27)
InChIKeyCVRJZEXVLMQRJP-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.33
Rot. Bonds7

About N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 3242935) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID3242935
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C21H28N4O3/c1-3-21(2,20(27)24-16-8-5-4-6-9-16)25(15-17-10-7-13-28-17)19(26)18-14-22-11-12-23-18/h7,10-14,16H,3-6,8-9,15H2,1-2H3,(H,24,27)
InChIKeyCVRJZEXVLMQRJP-UHFFFAOYSA-N
XLogP3.33
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 841630
N-[2-(tert-butylamino)-2-oxo-1-pyrazin-2-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003636
N1-(2-(furan-2-yl)-2-morpholinoethyl)-N2-(pyridin-2-ylmethyl)oxalamide
CID 16194916
N-[4-(furan-2-carbonylamino)phenyl]pyrazine-2-carboxamide
CID 704824
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyrazin-2-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 156893928
Pyrazine-2-carboxylic acid [(1,1-dimethyl-propylcarbamoyl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-amide
CID 650370
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-phenyl-carbamoyl]-methyl}-amide
CID 654585
3-[(Benzylcarbamoyl-furan-2-yl-methyl)-(pyrazine-2-carbonyl)-amino]-benzoic acid methyl ester
CID 655514
N-[3-(2-furoylamino)phenyl]-2-pyrazinecarboxamide
CID 860519
Pyridine-2-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-furan-2-ylmethyl-amide
CID 3205967
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 3206071
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 3237419

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 3242935) is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1.
What is the InChIKey of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is CVRJZEXVLMQRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-21(2,20(27)24-16-8-5-4-6-9-16)25(15-17-10-7-13-28-17)19(26)18-14-22-11-12-23-18/h7,10-14,16H,3-6,8-9,15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3242935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).