N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide

C18H17N5O — CID 109283399

IUPACN-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCc3cccnc3)cn2)c1
InChIInChI=1S/C18H17N5O/c1-13-4-2-6-15(8-13)23-18(24)16-11-22-17(12-20-16)21-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyAADVGUXMSPNEGR-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.04
Rot. Bonds5

About N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide

N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283399) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283399
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCc3cccnc3)cn2)c1
InChIInChI=1S/C18H17N5O/c1-13-4-2-6-15(8-13)23-18(24)16-11-22-17(12-20-16)21-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyAADVGUXMSPNEGR-UHFFFAOYSA-N
XLogP3.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283424
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
N-(3-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283431
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125
5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283309
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283445
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide (CID 109283399) is N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(NCc3cccnc3)cn2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is AADVGUXMSPNEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-4-2-6-15(8-13)23-18(24)16-11-22-17(12-20-16)21-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).