(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide

C23H20N2O3 — CID 25351839

IUPAC(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide
SMILESC[C@@]1(C(=O)N(Cc2ccccc2)c2ccccn2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H20N2O3/c1-23(15-18-11-5-6-12-19(18)21(26)28-23)22(27)25(20-13-7-8-14-24-20)16-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3/t23-/m0/s1
InChIKeyTZPUPWSPAJYBPL-QHCPKHFHSA-N
MW372.42 g/mol
LogP3.79
Rot. Bonds4

About (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide

(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide (PubChem CID 25351839) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide
PubChem CID25351839
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide
SMILESC[C@@]1(C(=O)N(Cc2ccccc2)c2ccccn2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C23H20N2O3/c1-23(15-18-11-5-6-12-19(18)21(26)28-23)22(27)25(20-13-7-8-14-24-20)16-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3/t23-/m0/s1
InChIKeyTZPUPWSPAJYBPL-QHCPKHFHSA-N
XLogP3.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 95273884
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
methyl (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 907846
(3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide
CID 42107448
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55588082
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide
CID 147810593
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
N-(2,5-dimethylphenyl)-3-methyl-1-oxo-N-propan-2-yl-4H-isochromene-3-carboxamide
CID 56501843
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 78791573
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
3-methyl-1-oxo-N-pentan-3-yl-4H-isochromene-3-carboxamide
CID 24680936
N-[(4-chlorophenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 16556934

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide (CID 25351839) is (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide is C[C@@]1(C(=O)N(Cc2ccccc2)c2ccccn2)Cc2ccccc2C(=O)O1.
What is the InChIKey of (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide?
The InChIKey is TZPUPWSPAJYBPL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-23(15-18-11-5-6-12-19(18)21(26)28-23)22(27)25(20-13-7-8-14-24-20)16-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide?
(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide is sourced from PubChem (CID 25351839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).