N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide

C13H11N5O — CID 100991974

IUPACN-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCn1nc2ccccc2n1)c1cccnc1
InChIInChI=1S/C13H11N5O/c19-13(10-4-3-7-14-8-10)15-9-18-16-11-5-1-2-6-12(11)17-18/h1-8H,9H2,(H,15,19)
InChIKeyMCCVZUMPYSZUGS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.21
Rot. Bonds3

About N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide

N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 100991974) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide
PubChem CID100991974
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCn1nc2ccccc2n1)c1cccnc1
InChIInChI=1S/C13H11N5O/c19-13(10-4-3-7-14-8-10)15-9-18-16-11-5-1-2-6-12(11)17-18/h1-8H,9H2,(H,15,19)
InChIKeyMCCVZUMPYSZUGS-UHFFFAOYSA-N
XLogP1.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide (CID 100991974) is N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide is O=C(NCn1nc2ccccc2n1)c1cccnc1.
What is the InChIKey of N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MCCVZUMPYSZUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(10-4-3-7-14-8-10)15-9-18-16-11-5-1-2-6-12(11)17-18/h1-8H,9H2,(H,15,19).
What are the key properties of N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide?
N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 100991974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).