3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide

C17H17N5O2 — CID 4911365

IUPAC3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cccnc1)n1nnc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-11(2)15(16(23)19-12-6-5-9-18-10-12)22-17(24)13-7-3-4-8-14(13)20-21-22/h3-11,15H,1-2H3,(H,19,23)
InChIKeyQIXCWTGEUDNADJ-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide

3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide (PubChem CID 4911365) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide
PubChem CID4911365
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cccnc1)n1nnc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-11(2)15(16(23)19-12-6-5-9-18-10-12)22-17(24)13-7-3-4-8-14(13)20-21-22/h3-11,15H,1-2H3,(H,19,23)
InChIKeyQIXCWTGEUDNADJ-UHFFFAOYSA-N
XLogP2.02
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 40921687
2-[[3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid
CID 4886449
N-(2-bromophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4901141
N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4974474
N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4899863
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 7553409
(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanedioic acid
CID 2041013
(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 97266298
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4912205
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4905448
(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]pentanedioate
CID 2041012

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide?
The IUPAC name of 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide (CID 4911365) is 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide is CC(C)C(C(=O)Nc1cccnc1)n1nnc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide?
The InChIKey is QIXCWTGEUDNADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11(2)15(16(23)19-12-6-5-9-18-10-12)22-17(24)13-7-3-4-8-14(13)20-21-22/h3-11,15H,1-2H3,(H,19,23).
What are the key properties of 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide?
3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide has a molecular weight of 323.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 4911365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).