N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide

C22H30N6O — CID 78841981

IUPACN-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
SMILESCC1CCC(C#N)(N(C)C(=O)C(C)N2CCN(c3ncccc3C#N)CC2)CC1
InChIInChI=1S/C22H30N6O/c1-17-6-8-22(16-24,9-7-17)26(3)21(29)18(2)27-11-13-28(14-12-27)20-19(15-23)5-4-10-25-20/h4-5,10,17-18H,6-9,11-14H2,1-3H3
InChIKeyVRXXSSXKYKMTTA-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.39
Rot. Bonds4

About N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide

N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 78841981) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID78841981
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
SMILESCC1CCC(C#N)(N(C)C(=O)C(C)N2CCN(c3ncccc3C#N)CC2)CC1
InChIInChI=1S/C22H30N6O/c1-17-6-8-22(16-24,9-7-17)26(3)21(29)18(2)27-11-13-28(14-12-27)20-19(15-23)5-4-10-25-20/h4-5,10,17-18H,6-9,11-14H2,1-3H3
InChIKeyVRXXSSXKYKMTTA-UHFFFAOYSA-N
XLogP2.39
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide with MolForge

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Related Compounds

N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78848861
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
tert-butyl 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanoate
CID 122141420
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-pyridin-4-ylsulfanylpropanamide
CID 127265563
(2S)-N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpropanamide
CID 9431281
N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
CID 78829253
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 134032020
1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370136
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171328145
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 78841880
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 134031972

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide (CID 78841981) is N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide is CC1CCC(C#N)(N(C)C(=O)C(C)N2CCN(c3ncccc3C#N)CC2)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is VRXXSSXKYKMTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-17-6-8-22(16-24,9-7-17)26(3)21(29)18(2)27-11-13-28(14-12-27)20-19(15-23)5-4-10-25-20/h4-5,10,17-18H,6-9,11-14H2,1-3H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 394.52 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 78841981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).