benzene;pyridine-3-carboxamide

C12H12N2O — CID 66766032

IUPACbenzene;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.c1ccccc1
InChIInChI=1S/C6H6N2O.C6H6/c7-6(9)5-2-1-3-8-4-5;1-2-4-6-5-3-1/h1-4H,(H2,7,9);1-6H
InChIKeyZPFBETGJRRNJGT-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.87
Rot. Bonds1

About benzene;pyridine-3-carboxamide

benzene;pyridine-3-carboxamide (PubChem CID 66766032) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is benzene;pyridine-3-carboxamide.

Molecular Properties

Compound Namebenzene;pyridine-3-carboxamide
PubChem CID66766032
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Namebenzene;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.c1ccccc1
InChIInChI=1S/C6H6N2O.C6H6/c7-6(9)5-2-1-3-8-4-5;1-2-4-6-5-3-1/h1-4H,(H2,7,9);1-6H
InChIKeyZPFBETGJRRNJGT-UHFFFAOYSA-N
XLogP1.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methane;pyridine-3-carboxamide
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CID 175154223
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butanedioic acid;pyridine-3-carboxamide
CID 159465776
potassium;ethene;pyridine-3-carboxamide
CID 174767244
platinum(2+);tetrakis(pyridine-3-carboxamide);dihexafluorophosphate;dihydrate
CID 139153914
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
pyridine-3-carboxamide;1,3-thiazole
CID 174906331
ethyl benzoate;pyridine-3-carboxamide
CID 175250777

Frequently Asked Questions

What is the IUPAC name of benzene;pyridine-3-carboxamide?
The IUPAC name of benzene;pyridine-3-carboxamide (CID 66766032) is benzene;pyridine-3-carboxamide.
What is the SMILES notation for benzene;pyridine-3-carboxamide?
The canonical SMILES for benzene;pyridine-3-carboxamide is NC(=O)c1cccnc1.c1ccccc1.
What is the InChIKey of benzene;pyridine-3-carboxamide?
The InChIKey is ZPFBETGJRRNJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C6H6/c7-6(9)5-2-1-3-8-4-5;1-2-4-6-5-3-1/h1-4H,(H2,7,9);1-6H.
What are the key properties of benzene;pyridine-3-carboxamide?
benzene;pyridine-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;pyridine-3-carboxamide is sourced from PubChem (CID 66766032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).