2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide

C13H14N4O — CID 20509458

IUPAC2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1ncc(-c2ccncc2)cc1C(N)=O
InChIInChI=1S/C13H14N4O/c1-17(2)13-11(12(14)18)7-10(8-16-13)9-3-5-15-6-4-9/h3-8H,1-2H3,(H2,14,18)
InChIKeyNLEFURMRBVNETC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.31
Rot. Bonds3

About 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide

2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 20509458) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide
PubChem CID20509458
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1ncc(-c2ccncc2)cc1C(N)=O
InChIInChI=1S/C13H14N4O/c1-17(2)13-11(12(14)18)7-10(8-16-13)9-3-5-15-6-4-9/h3-8H,1-2H3,(H2,14,18)
InChIKeyNLEFURMRBVNETC-UHFFFAOYSA-N
XLogP1.31
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide (CID 20509458) is 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide is CN(C)c1ncc(-c2ccncc2)cc1C(N)=O.
What is the InChIKey of 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is NLEFURMRBVNETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17(2)13-11(12(14)18)7-10(8-16-13)9-3-5-15-6-4-9/h3-8H,1-2H3,(H2,14,18).
What are the key properties of 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide?
2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 20509458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).