N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide

C19H31N5O2 — CID 42783067

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCN1CCN(C(=O)CCN(CC(C)C)C(=O)c2cnc(C)cn2)CC1
InChIInChI=1S/C19H31N5O2/c1-5-22-8-10-23(11-9-22)18(25)6-7-24(14-15(2)3)19(26)17-13-20-16(4)12-21-17/h12-13,15H,5-11,14H2,1-4H3
InChIKeyHYCJGDHMXHABRD-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.44
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 42783067) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID42783067
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCN1CCN(C(=O)CCN(CC(C)C)C(=O)c2cnc(C)cn2)CC1
InChIInChI=1S/C19H31N5O2/c1-5-22-8-10-23(11-9-22)18(25)6-7-24(14-15(2)3)19(26)17-13-20-16(4)12-21-17/h12-13,15H,5-11,14H2,1-4H3
InChIKeyHYCJGDHMXHABRD-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 816542
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4091593
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-5-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 7226719
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
N-[3-(ethoxyamino)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4168241
5-methyl-N-(2-methylpropyl)-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3363056
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 5210403
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 42783067) is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide is CCN1CCN(C(=O)CCN(CC(C)C)C(=O)c2cnc(C)cn2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is HYCJGDHMXHABRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-5-22-8-10-23(11-9-22)18(25)6-7-24(14-15(2)3)19(26)17-13-20-16(4)12-21-17/h12-13,15H,5-11,14H2,1-4H3.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42783067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).