4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen

C13H15N3O — CID 144555172

IUPAC4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen
SMILESCc1cncc(C(=O)Nc2cccnc2)c1C.[H][H]
InChIInChI=1S/C13H13N3O.H2/c1-9-6-15-8-12(10(9)2)13(17)16-11-4-3-5-14-7-11;/h3-8H,1-2H3,(H,16,17);1H
InChIKeyOXWANVQUUIENEE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds2

About 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen

4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen (PubChem CID 144555172) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen
PubChem CID144555172
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen
SMILESCc1cncc(C(=O)Nc2cccnc2)c1C.[H][H]
InChIInChI=1S/C13H13N3O.H2/c1-9-6-15-8-12(10(9)2)13(17)16-11-4-3-5-14-7-11;/h3-8H,1-2H3,(H,16,17);1H
InChIKeyOXWANVQUUIENEE-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide
CID 50851065
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
2,5-dihydroxy-N-pyridin-3-ylbenzamide
CID 113347059
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen (CID 144555172) is 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen is Cc1cncc(C(=O)Nc2cccnc2)c1C.[H][H].
What is the InChIKey of 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen?
The InChIKey is OXWANVQUUIENEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.H2/c1-9-6-15-8-12(10(9)2)13(17)16-11-4-3-5-14-7-11;/h3-8H,1-2H3,(H,16,17);1H.
What are the key properties of 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen?
4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen has a molecular weight of 229.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 144555172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).