N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide

C23H21N5O2 — CID 55768036

IUPACN-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCN(C(=O)CCn1nnc2ccccc2c1=O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H21N5O2/c1-27(22(17-9-3-2-4-10-17)20-13-7-8-15-24-20)21(29)14-16-28-23(30)18-11-5-6-12-19(18)25-26-28/h2-13,15,22H,14,16H2,1H3
InChIKeyPHGHJYGYZSUOOQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.82
Rot. Bonds6

About N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide

N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 55768036) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID55768036
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCN(C(=O)CCn1nnc2ccccc2c1=O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H21N5O2/c1-27(22(17-9-3-2-4-10-17)20-13-7-8-15-24-20)21(29)14-16-28-23(30)18-11-5-6-12-19(18)25-26-28/h2-13,15,22H,14,16H2,1H3
InChIKeyPHGHJYGYZSUOOQ-UHFFFAOYSA-N
XLogP2.82
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39437289
N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 86829861
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51328770
N-cyclohexyl-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34248936
N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51956913
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51265252
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-pyridin-2-ylpropyl]acetamide
CID 95228796
2,2-dimethyl-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid
CID 65247808
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441642
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 134053912
N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56805820

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide (CID 55768036) is N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide is CN(C(=O)CCn1nnc2ccccc2c1=O)C(c1ccccc1)c1ccccn1.
What is the InChIKey of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is PHGHJYGYZSUOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-27(22(17-9-3-2-4-10-17)20-13-7-8-15-24-20)21(29)14-16-28-23(30)18-11-5-6-12-19(18)25-26-28/h2-13,15,22H,14,16H2,1H3.
What are the key properties of N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide?
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 399.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 55768036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).