N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide

C16H17N3O — CID 42929264

IUPACN-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C16H17N3O/c1-11-9-18-14(10-17-11)16(20)19-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-10,13,15H,7-8H2,1H3,(H,19,20)
InChIKeyQXRUQUVSSNUIKW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.67
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide

N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 42929264) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID42929264
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C16H17N3O/c1-11-9-18-14(10-17-11)16(20)19-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-10,13,15H,7-8H2,1H3,(H,19,20)
InChIKeyQXRUQUVSSNUIKW-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

(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466
6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide
CID 61041207
2-cyclohexyl-2-[(5-methylpyrazine-2-carbonyl)amino]acetic acid
CID 61014498
5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122052869
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
6-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119179983
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide (CID 42929264) is N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC(c2ccccc2)C2CC2)cn1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is QXRUQUVSSNUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-9-18-14(10-17-11)16(20)19-15(13-7-8-13)12-5-3-2-4-6-12/h2-6,9-10,13,15H,7-8H2,1H3,(H,19,20).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide?
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-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(phenyl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42929264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).