pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate

C12H15ClN4O3 — CID 139196408

IUPACpyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate
SMILESNC(=O)c1ccc[nH+]c1.NC(=O)c1cccnc1.O.[Cl-]
InChIInChI=1S/2C6H6N2O.ClH.H2O/c2*7-6(9)5-2-1-3-8-4-5;;/h2*1-4H,(H2,7,9);1H;1H2
InChIKeyFBUVALIWLVEVIO-UHFFFAOYSA-N
MW298.73 g/mol
LogP-4.04
Rot. Bonds2

About pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate

pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate (PubChem CID 139196408) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate.

Molecular Properties

Compound Namepyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate
PubChem CID139196408
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Namepyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate
SMILESNC(=O)c1ccc[nH+]c1.NC(=O)c1cccnc1.O.[Cl-]
InChIInChI=1S/2C6H6N2O.ClH.H2O/c2*7-6(9)5-2-1-3-8-4-5;;/h2*1-4H,(H2,7,9);1H;1H2
InChIKeyFBUVALIWLVEVIO-UHFFFAOYSA-N
XLogP-4.04
TPSA144.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 5-4.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 175154223
CID 175154223
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CID 19390506
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CID 174767244
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CID 70159642
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CID 139060084
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CID 159465776
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Frequently Asked Questions

What is the IUPAC name of pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate?
The IUPAC name of pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate (CID 139196408) is pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate.
What is the SMILES notation for pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate?
The canonical SMILES for pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate is NC(=O)c1ccc[nH+]c1.NC(=O)c1cccnc1.O.[Cl-].
What is the InChIKey of pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate?
The InChIKey is FBUVALIWLVEVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6N2O.ClH.H2O/c2*7-6(9)5-2-1-3-8-4-5;;/h2*1-4H,(H2,7,9);1H;1H2.
What are the key properties of pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate?
pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate has a molecular weight of 298.73 g/mol, XLogP of -4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carboxamide;pyridin-1-ium-3-carboxamide;chloride;hydrate is sourced from PubChem (CID 139196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).