N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide

C15H24N4O2 — CID 4256898

IUPACN-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
SMILESCC(C)CN(CCC(=O)NC(C)C)C(=O)c1cnccn1
InChIInChI=1S/C15H24N4O2/c1-11(2)10-19(8-5-14(20)18-12(3)4)15(21)13-9-16-6-7-17-13/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,18,20)
InChIKeyMHFPEKKYANBMFX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.49
Rot. Bonds7

About N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide

N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide (PubChem CID 4256898) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
PubChem CID4256898
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
SMILESCC(C)CN(CCC(=O)NC(C)C)C(=O)c1cnccn1
InChIInChI=1S/C15H24N4O2/c1-11(2)10-19(8-5-14(20)18-12(3)4)15(21)13-9-16-6-7-17-13/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,18,20)
InChIKeyMHFPEKKYANBMFX-UHFFFAOYSA-N
XLogP1.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 55049875
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 5210403
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 4305311
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide (CID 4256898) is N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide is CC(C)CN(CCC(=O)NC(C)C)C(=O)c1cnccn1.
What is the InChIKey of N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is MHFPEKKYANBMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)10-19(8-5-14(20)18-12(3)4)15(21)13-9-16-6-7-17-13/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide?
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4256898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).