N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide

C21H30N6O2 — CID 22260465

IUPACN-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)c2cnccn2)CC1
InChIInChI=1S/C21H30N6O2/c1-27-11-7-21(15-22,8-12-27)26-20(29)17(13-16-5-3-2-4-6-16)25-19(28)18-14-23-9-10-24-18/h9-10,14,16-17H,2-8,11-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyFUXCYUAWCXUFIH-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.65
Rot. Bonds6

About N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide

N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 22260465) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide
PubChem CID22260465
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)c2cnccn2)CC1
InChIInChI=1S/C21H30N6O2/c1-27-11-7-21(15-22,8-12-27)26-20(29)17(13-16-5-3-2-4-6-16)25-19(28)18-14-23-9-10-24-18/h9-10,14,16-17H,2-8,11-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyFUXCYUAWCXUFIH-UHFFFAOYSA-N
XLogP1.65
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

ethyl N-[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-pyrazin-2-ylcarbonimidoyl]carbamate
CID 69417987
(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
CID 162739047
N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[5-(methanesulfonamido)imidazo[1,5-a]pyrazin-1-yl]amino]propanamide
CID 69418875
N-[1-[[4-cyano-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 131724467
(2S)-N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide
CID 59040992
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7985731
4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
[N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-phenylcarbonimidoyl]carbamic acid
CID 22674362
N-[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(3S)-4,5-dioxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
CID 59911823
4-cyano-4-[[3-cyclohexyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]propanoyl]amino]piperidine-1-carboxylic acid
CID 22063243
tert-butyl N-[1-[(4-cyanooxan-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 22260478
N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260612

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 22260465) is N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide is CN1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)c2cnccn2)CC1.
What is the InChIKey of N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is FUXCYUAWCXUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-27-11-7-21(15-22,8-12-27)26-20(29)17(13-16-5-3-2-4-6-16)25-19(28)18-14-23-9-10-24-18/h9-10,14,16-17H,2-8,11-13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide?
N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 22260465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).