5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide

C16H20N4O — CID 107375133

IUPAC5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-12(8-9-13-6-4-3-5-7-13)20-16(21)14-10-19-15(17-2)11-18-14/h3-7,10-12H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAUIWCMOIUPAMKH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.27
Rot. Bonds6

About 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide

5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide (PubChem CID 107375133) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
PubChem CID107375133
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-12(8-9-13-6-4-3-5-7-13)20-16(21)14-10-19-15(17-2)11-18-14/h3-7,10-12H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAUIWCMOIUPAMKH-UHFFFAOYSA-N
XLogP2.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyrazine-2-carboxamide
CID 107376850
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107375144
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375348
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617189
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
5-(ethylamino)-N-pentan-2-ylpyrazine-2-carboxamide
CID 107373939
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide (CID 107375133) is 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide is CNc1cnc(C(=O)NC(C)CCc2ccccc2)cn1.
What is the InChIKey of 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is AUIWCMOIUPAMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(8-9-13-6-4-3-5-7-13)20-16(21)14-10-19-15(17-2)11-18-14/h3-7,10-12H,8-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide?
5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107375133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).