5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide

C15H16N4O3 — CID 151146620

IUPAC5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide
SMILESNC(=O)C1=CC(Cc2ccncc2)(C(N)=O)CC(C(N)=O)=C1
InChIInChI=1S/C15H16N4O3/c16-12(20)10-5-11(13(17)21)8-15(7-10,14(18)22)6-9-1-3-19-4-2-9/h1-5,7H,6,8H2,(H2,16,20)(H2,17,21)(H2,18,22)
InChIKeyMXIHWEYGOAWYDT-UHFFFAOYSA-N
MW300.32 g/mol
LogP-0.68
Rot. Bonds5

About 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide

5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide (PubChem CID 151146620) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide
PubChem CID151146620
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide
SMILESNC(=O)C1=CC(Cc2ccncc2)(C(N)=O)CC(C(N)=O)=C1
InChIInChI=1S/C15H16N4O3/c16-12(20)10-5-11(13(17)21)8-15(7-10,14(18)22)6-9-1-3-19-4-2-9/h1-5,7H,6,8H2,(H2,16,20)(H2,17,21)(H2,18,22)
InChIKeyMXIHWEYGOAWYDT-UHFFFAOYSA-N
XLogP-0.68
TPSA142.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzoylpyridine
CID 26731
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CID 569538
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104
2-Ethylisonicotinamide
CID 76905
CV 6504
CID 93543
N-hydroxy-8-oxo-8-(pyridin-3-yl)octanamide
CID 11128726
Lophocladine A
CID 11708368
3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
N'-nonanoylpyridine-4-carbohydrazide
CID 3009220
4-tert-butyl-N-(pyridin-3-ylmethyl)benzamide
CID 669507

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide?
The IUPAC name of 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide (CID 151146620) is 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide.
What is the SMILES notation for 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide?
The canonical SMILES for 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide is NC(=O)C1=CC(Cc2ccncc2)(C(N)=O)CC(C(N)=O)=C1.
What is the InChIKey of 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide?
The InChIKey is MXIHWEYGOAWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-12(20)10-5-11(13(17)21)8-15(7-10,14(18)22)6-9-1-3-19-4-2-9/h1-5,7H,6,8H2,(H2,16,20)(H2,17,21)(H2,18,22).
What are the key properties of 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide?
5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide has a molecular weight of 300.32 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethyl)cyclohexa-1,3-diene-1,3,5-tricarboxamide is sourced from PubChem (CID 151146620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).