5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide

C14H13N5O — CID 71540501

IUPAC5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2nc(C#N)cnc2C(N)=O)cc1
InChIInChI=1S/C14H13N5O/c1-9-2-4-10(5-3-9)7-18-14-12(13(16)20)17-8-11(6-15)19-14/h2-5,8H,7H2,1H3,(H2,16,20)(H,18,19)
InChIKeyBWCYPUJZYMFNOJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.37
Rot. Bonds4

About 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide

5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 71540501) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID71540501
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccc(CNc2nc(C#N)cnc2C(N)=O)cc1
InChIInChI=1S/C14H13N5O/c1-9-2-4-10(5-3-9)7-18-14-12(13(16)20)17-8-11(6-15)19-14/h2-5,8H,7H2,1H3,(H2,16,20)(H,18,19)
InChIKeyBWCYPUJZYMFNOJ-UHFFFAOYSA-N
XLogP1.37
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-3-(2-methylpropylamino)pyrazine-2-carboxamide
CID 10242543
5-bromo-3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 89346524
2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
3-[[4-(5-amino-3-methyl-6-oxo-1H-pyrazin-2-yl)phenyl]methylamino]-6-cyanopyrazine-2-carboxylic acid
CID 122688070
6-cyano-3-[[4-[3-(methylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]phenyl]methylamino]pyrazine-2-carboxylic acid
CID 129056853
ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
CID 39886314
methyl 4-[[(5-cyano-2-methylpyrimidin-4-yl)amino]methyl]benzoate
CID 71173554
N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256337
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 71540501) is 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1ccc(CNc2nc(C#N)cnc2C(N)=O)cc1.
What is the InChIKey of 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is BWCYPUJZYMFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-2-4-10(5-3-9)7-18-14-12(13(16)20)17-8-11(6-15)19-14/h2-5,8H,7H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide?
5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 71540501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).