2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide

C23H26N6O3S — CID 55369093

IUPAC2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCC(Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C23H26N6O3S/c1-14(20(30)29-23(32)27-17-10-6-3-7-11-17)33-22-15(13-24)12-18(19(25)28-22)21(31)26-16-8-4-2-5-9-16/h2,4-5,8-9,12,14,17H,3,6-7,10-11H2,1H3,(H2,25,28)(H,26,31)(H2,27,29,30,32)
InChIKeyVAESVUJJGFAHGY-UHFFFAOYSA-N
MW466.57 g/mol
LogP3.43
Rot. Bonds6

About 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide

2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 55369093) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
PubChem CID55369093
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC Name2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
SMILESCC(Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C23H26N6O3S/c1-14(20(30)29-23(32)27-17-10-6-3-7-11-17)33-22-15(13-24)12-18(19(25)28-22)21(31)26-16-8-4-2-5-9-16/h2,4-5,8-9,12,14,17H,3,6-7,10-11H2,1H3,(H2,25,28)(H,26,31)(H2,27,29,30,32)
InChIKeyVAESVUJJGFAHGY-UHFFFAOYSA-N
XLogP3.43
TPSA150.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55423113
2-amino-6-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 55369002
2-amino-6-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 25499084
2-amino-5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55392955
2-amino-5-cyano-6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55368988
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-phenylpropanamide
CID 23772486
2-amino-5-cyano-6-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 25474181
2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980906
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenylpropanamide
CID 23970565
2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenylpropanamide
CID 23743351
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
CID 24579373
(2R)-N-(cyclohexylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8731025

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide (CID 55369093) is 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide is CC(Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?
The InChIKey is VAESVUJJGFAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-14(20(30)29-23(32)27-17-10-6-3-7-11-17)33-22-15(13-24)12-18(19(25)28-22)21(31)26-16-8-4-2-5-9-16/h2,4-5,8-9,12,14,17H,3,6-7,10-11H2,1H3,(H2,25,28)(H,26,31)(H2,27,29,30,32).
What are the key properties of 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide?
2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyano-6-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 55369093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).