N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide

C16H17N3O — CID 47016466

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2cnccn2)C2CC2)cc1
InChIInChI=1S/C16H17N3O/c1-11-2-4-12(5-3-11)15(13-6-7-13)19-16(20)14-10-17-8-9-18-14/h2-5,8-10,13,15H,6-7H2,1H3,(H,19,20)
InChIKeyZBCBUBHRGLQBSQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.67
Rot. Bonds4

About N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide

N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 47016466) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID47016466
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(NC(=O)c2cnccn2)C2CC2)cc1
InChIInChI=1S/C16H17N3O/c1-11-2-4-12(5-3-11)15(13-6-7-13)19-16(20)14-10-17-8-9-18-14/h2-5,8-10,13,15H,6-7H2,1H3,(H,19,20)
InChIKeyZBCBUBHRGLQBSQ-UHFFFAOYSA-N
XLogP2.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119179983
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
N-(2-amino-1-cyclopropylethyl)pyrazine-2-carboxamide;dihydrochloride
CID 119616630
cis-methyl (1R,2S)-2-[(R)-phenyl-(pyrazine-2-carbonylamino)methyl]cyclopropane-1-carboxylate
CID 21014180
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24625944
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320
N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24582551

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide (CID 47016466) is N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccc(C(NC(=O)c2cnccn2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is ZBCBUBHRGLQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-2-4-12(5-3-11)15(13-6-7-13)19-16(20)14-10-17-8-9-18-14/h2-5,8-10,13,15H,6-7H2,1H3,(H,19,20).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47016466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).