(1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide

C23H22N2O4 — CID 97325875

IUPAC(1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cn1
InChIInChI=1S/C23H22N2O4/c1-15-7-9-19(20(13-15)27-2)29-21-10-8-17(14-24-21)25-23(26)22-18-6-4-3-5-16(18)11-12-28-22/h3-10,13-14,22H,11-12H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyPIZIQLHKWWNYIR-QFIPXVFZSA-N
MW390.44 g/mol
LogP4.44
Rot. Bonds5

About (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide

(1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 97325875) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID97325875
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cn1
InChIInChI=1S/C23H22N2O4/c1-15-7-9-19(20(13-15)27-2)29-21-10-8-17(14-24-21)25-23(26)22-18-6-4-3-5-16(18)11-12-28-22/h3-10,13-14,22H,11-12H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyPIZIQLHKWWNYIR-QFIPXVFZSA-N
XLogP4.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939327
(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
CID 51942823
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 104624688
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 45124852
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55674879
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide
CID 55872419
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55674821
(5-chloro-2-methoxyphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 105094079
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 97325875) is (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide is COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cn1.
What is the InChIKey of (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is PIZIQLHKWWNYIR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-7-9-19(20(13-15)27-2)29-21-10-8-17(14-24-21)25-23(26)22-18-6-4-3-5-16(18)11-12-28-22/h3-10,13-14,22H,11-12H2,1-2H3,(H,25,26)/t22-/m0/s1.
What are the key properties of (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
(1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 97325875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).