3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide

C18H15N5O2 — CID 154744382

IUPAC3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
SMILESNC(=O)c1nccnc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C18H15N5O2/c19-17(24)15-16(22-10-9-21-15)18(25)23-14-3-1-12(2-4-14)11-13-5-7-20-8-6-13/h1-10H,11H2,(H2,19,24)(H,23,25)
InChIKeyCYHYPJGYAIFDKR-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.81
Rot. Bonds5

About 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide

3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide (PubChem CID 154744382) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
PubChem CID154744382
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
SMILESNC(=O)c1nccnc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C18H15N5O2/c19-17(24)15-16(22-10-9-21-15)18(25)23-14-3-1-12(2-4-14)11-13-5-7-20-8-6-13/h1-10H,11H2,(H2,19,24)(H,23,25)
InChIKeyCYHYPJGYAIFDKR-UHFFFAOYSA-N
XLogP1.81
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 38404382
3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
CID 118716034
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163
2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 110451935
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
CID 136539853
2,2,2-trifluoroethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
CID 47092192
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide (CID 154744382) is 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide is NC(=O)c1nccnc1C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide?
The InChIKey is CYHYPJGYAIFDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-17(24)15-16(22-10-9-21-15)18(25)23-14-3-1-12(2-4-14)11-13-5-7-20-8-6-13/h1-10H,11H2,(H2,19,24)(H,23,25).
What are the key properties of 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide?
3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide has a molecular weight of 333.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 154744382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).