propan-2-one;pyridine-4-carboxamide

C9H12N2O2 — CID 174689468

IUPACpropan-2-one;pyridine-4-carboxamide
SMILESCC(C)=O.NC(=O)c1ccncc1
InChIInChI=1S/C6H6N2O.C3H6O/c7-6(9)5-1-3-8-4-2-5;1-3(2)4/h1-4H,(H2,7,9);1-2H3
InChIKeyBAMMIPSXHVHVBO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.78
Rot. Bonds1

About propan-2-one;pyridine-4-carboxamide

propan-2-one;pyridine-4-carboxamide (PubChem CID 174689468) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is propan-2-one;pyridine-4-carboxamide.

Molecular Properties

Compound Namepropan-2-one;pyridine-4-carboxamide
PubChem CID174689468
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namepropan-2-one;pyridine-4-carboxamide
SMILESCC(C)=O.NC(=O)c1ccncc1
InChIInChI=1S/C6H6N2O.C3H6O/c7-6(9)5-1-3-8-4-2-5;1-3(2)4/h1-4H,(H2,7,9);1-2H3
InChIKeyBAMMIPSXHVHVBO-UHFFFAOYSA-N
XLogP0.78
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
copper;acetic acid;bis(pyridine-4-carboxamide);diacetate
CID 139155367
benzamide;pyridine-4-carboxamide
CID 175267661
pyridine;pyridine-4-carboxamide
CID 70513287
zinc;bis(pyridine-4-carboxamide);diisothiocyanate
CID 139088078
benzamide;pyrazine
CID 67119172
nonanedioic acid;bis(pyridine-4-carboxamide)
CID 139205511
copper;bis(4-methylbenzoate);bis(pyridine-4-carboxamide);dihydrate
CID 139079434
(E)-hex-2-enoic acid;pyridine-4-carboxamide
CID 139145861
pyridine-4-carboxamide;2,4,5-trifluorobenzoic acid
CID 139184205
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
(1-pyridin-4-ylethylideneamino)urea
CID 2755736

Frequently Asked Questions

What is the IUPAC name of propan-2-one;pyridine-4-carboxamide?
The IUPAC name of propan-2-one;pyridine-4-carboxamide (CID 174689468) is propan-2-one;pyridine-4-carboxamide.
What is the SMILES notation for propan-2-one;pyridine-4-carboxamide?
The canonical SMILES for propan-2-one;pyridine-4-carboxamide is CC(C)=O.NC(=O)c1ccncc1.
What is the InChIKey of propan-2-one;pyridine-4-carboxamide?
The InChIKey is BAMMIPSXHVHVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C3H6O/c7-6(9)5-1-3-8-4-2-5;1-3(2)4/h1-4H,(H2,7,9);1-2H3.
What are the key properties of propan-2-one;pyridine-4-carboxamide?
propan-2-one;pyridine-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;pyridine-4-carboxamide is sourced from PubChem (CID 174689468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).