5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C19H18N6O2 — CID 109283309

IUPAC5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cnc(C(=O)NCc3cccnc3)cn2)c1
InChIInChI=1S/C19H18N6O2/c1-13(26)24-15-5-2-6-16(8-15)25-18-12-21-17(11-22-18)19(27)23-10-14-4-3-7-20-9-14/h2-9,11-12H,10H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyUBOYQTQHHYLLNO-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.50
Rot. Bonds6

About 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283309) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283309
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cnc(C(=O)NCc3cccnc3)cn2)c1
InChIInChI=1S/C19H18N6O2/c1-13(26)24-15-5-2-6-16(8-15)25-18-12-21-17(11-22-18)19(27)23-10-14-4-3-7-20-9-14/h2-9,11-12H,10H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyUBOYQTQHHYLLNO-UHFFFAOYSA-N
XLogP2.50
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109283332
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283399
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283424
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 109283309) is 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is CC(=O)Nc1cccc(Nc2cnc(C(=O)NCc3cccnc3)cn2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is UBOYQTQHHYLLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13(26)24-15-5-2-6-16(8-15)25-18-12-21-17(11-22-18)19(27)23-10-14-4-3-7-20-9-14/h2-9,11-12H,10H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).