N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide

C12H9N5O — CID 110732146

IUPACN-(2H-benzotriazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2n[nH]nc12)c1cccnc1
InChIInChI=1S/C12H9N5O/c18-12(8-3-2-6-13-7-8)14-9-4-1-5-10-11(9)16-17-15-10/h1-7H,(H,14,18)(H,15,16,17)
InChIKeyKDQQVNBXGYRYHZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds2

About N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide

N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide (PubChem CID 110732146) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)pyridine-3-carboxamide
PubChem CID110732146
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC NameN-(2H-benzotriazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2n[nH]nc12)c1cccnc1
InChIInChI=1S/C12H9N5O/c18-12(8-3-2-6-13-7-8)14-9-4-1-5-10-11(9)16-17-15-10/h1-7H,(H,14,18)(H,15,16,17)
InChIKeyKDQQVNBXGYRYHZ-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
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3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
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N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide (CID 110732146) is N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide is O=C(Nc1cccc2n[nH]nc12)c1cccnc1.
What is the InChIKey of N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide?
The InChIKey is KDQQVNBXGYRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-12(8-3-2-6-13-7-8)14-9-4-1-5-10-11(9)16-17-15-10/h1-7H,(H,14,18)(H,15,16,17).
What are the key properties of N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide?
N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110732146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).