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

C19H24N4O2 — CID 4190134

IUPACN-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCC(C)NC(=O)CCN(CCc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C19H24N4O2/c1-15(2)22-18(24)9-13-23(12-8-16-6-4-3-5-7-16)19(25)17-14-20-10-11-21-17/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyRJBQYPBGQFFHLK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.08
Rot. Bonds8

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

N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 4190134) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID4190134
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCC(C)NC(=O)CCN(CCc1ccccc1)C(=O)c1cnccn1
InChIInChI=1S/C19H24N4O2/c1-15(2)22-18(24)9-13-23(12-8-16-6-4-3-5-7-16)19(25)17-14-20-10-11-21-17/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyRJBQYPBGQFFHLK-UHFFFAOYSA-N
XLogP2.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.08
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-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-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2S)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7218732
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-(2-methoxyethyl)-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 42783356

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 4190134) is N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is CC(C)NC(=O)CCN(CCc1ccccc1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is RJBQYPBGQFFHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(2)22-18(24)9-13-23(12-8-16-6-4-3-5-7-16)19(25)17-14-20-10-11-21-17/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 4190134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).