N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

C16H18N4O2 — CID 109271495

IUPACN-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NC(C)C)cn2)c1
InChIInChI=1S/C16H18N4O2/c1-10(2)19-15-9-17-14(8-18-15)16(22)20-13-6-4-5-12(7-13)11(3)21/h4-10H,1-3H3,(H,18,19)(H,20,22)
InChIKeyKYGHFNDISFGLOA-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.75
Rot. Bonds5

About N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (PubChem CID 109271495) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
PubChem CID109271495
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NC(C)C)cn2)c1
InChIInChI=1S/C16H18N4O2/c1-10(2)19-15-9-17-14(8-18-15)16(22)20-13-6-4-5-12(7-13)11(3)21/h4-10H,1-3H3,(H,18,19)(H,20,22)
InChIKeyKYGHFNDISFGLOA-UHFFFAOYSA-N
XLogP2.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-acetamido-2-(methylcarbamoyl)phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
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N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}pyridine-3-carboxamide
CID 25218446
N-(3-{(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl}phenyl)-6-methylnicotinamide
CID 25218451
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}-2-methylpyridine-4-carboxamide
CID 25218452
(S)-N-(3-(1-((6-Chloropyrazin-2-YL)amino)ethyl)phenyl)-5-methylnicotinamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (CID 109271495) is N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(NC(C)C)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The InChIKey is KYGHFNDISFGLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(2)19-15-9-17-14(8-18-15)16(22)20-13-6-4-5-12(7-13)11(3)21/h4-10H,1-3H3,(H,18,19)(H,20,22).
What are the key properties of N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).