N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide

C16H15N5O2 — CID 75490458

IUPACN-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide
SMILESCC(C)n1nnc2ccc(NC(=O)c3cccnc3)cc2c1=O
InChIInChI=1S/C16H15N5O2/c1-10(2)21-16(23)13-8-12(5-6-14(13)19-20-21)18-15(22)11-4-3-7-17-9-11/h3-10H,1-2H3,(H,18,22)
InChIKeyFVGWYQTULJBTFZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.02
Rot. Bonds3

About N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide

N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide (PubChem CID 75490458) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide
PubChem CID75490458
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide
SMILESCC(C)n1nnc2ccc(NC(=O)c3cccnc3)cc2c1=O
InChIInChI=1S/C16H15N5O2/c1-10(2)21-16(23)13-8-12(5-6-14(13)19-20-21)18-15(22)11-4-3-7-17-9-11/h3-10H,1-2H3,(H,18,22)
InChIKeyFVGWYQTULJBTFZ-UHFFFAOYSA-N
XLogP2.02
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)pyridine-4-carboxamide
CID 86207422
N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 30867406
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(4-amino-2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 73054453
3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide
CID 4911365
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 176910347
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
N-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)pyridine-3-carboxamide
CID 10149873

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide (CID 75490458) is N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide is CC(C)n1nnc2ccc(NC(=O)c3cccnc3)cc2c1=O.
What is the InChIKey of N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide?
The InChIKey is FVGWYQTULJBTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10(2)21-16(23)13-8-12(5-6-14(13)19-20-21)18-15(22)11-4-3-7-17-9-11/h3-10H,1-2H3,(H,18,22).
What are the key properties of N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide?
N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75490458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).