N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide

C20H25N5O — CID 118792595

IUPACN-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(C)c(N2CCN(C(=O)Nc3ccccc3C3CC3)CC2)n1
InChIInChI=1S/C20H25N5O/c1-14-13-21-15(2)19(22-14)24-9-11-25(12-10-24)20(26)23-18-6-4-3-5-17(18)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H,23,26)
InChIKeyJGDMONYNOMJORJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.32
Rot. Bonds3

About N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide

N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide (PubChem CID 118792595) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
PubChem CID118792595
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(C)c(N2CCN(C(=O)Nc3ccccc3C3CC3)CC2)n1
InChIInChI=1S/C20H25N5O/c1-14-13-21-15(2)19(22-14)24-9-11-25(12-10-24)20(26)23-18-6-4-3-5-17(18)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H,23,26)
InChIKeyJGDMONYNOMJORJ-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide
CID 72941426
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
CID 91648209
N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
CID 118767759
(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 99855050
4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
CID 126430553
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155941155
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline
CID 60876827
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 99855098

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide (CID 118792595) is N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide is Cc1cnc(C)c(N2CCN(C(=O)Nc3ccccc3C3CC3)CC2)n1.
What is the InChIKey of N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
The InChIKey is JGDMONYNOMJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-13-21-15(2)19(22-14)24-9-11-25(12-10-24)20(26)23-18-6-4-3-5-17(18)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H,23,26).
What are the key properties of N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118792595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).