N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide

C23H23N3O3 — CID 169414913

IUPACN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1cccc(-c3ccc(C)nn3)c1)C2
InChIInChI=1S/C23H23N3O3/c1-15-6-9-21(26-25-15)17-4-3-5-19(11-17)23(27)24-13-16-10-18-7-8-20(28-2)12-22(18)29-14-16/h3-9,11-12,16H,10,13-14H2,1-2H3,(H,24,27)
InChIKeyPALQHTODPQCTCL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.44
Rot. Bonds5

About N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide

N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide (PubChem CID 169414913) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide
PubChem CID169414913
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1cccc(-c3ccc(C)nn3)c1)C2
InChIInChI=1S/C23H23N3O3/c1-15-6-9-21(26-25-15)17-4-3-5-19(11-17)23(27)24-13-16-10-18-7-8-20(28-2)12-22(18)29-14-16/h3-9,11-12,16H,10,13-14H2,1-2H3,(H,24,27)
InChIKeyPALQHTODPQCTCL-UHFFFAOYSA-N
XLogP3.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 72855713
2-(hydroxymethyl)-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 97280412
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 97118057
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 97149544
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 97123602
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 74240064
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]quinoline-5-carboxamide
CID 97278158

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide (CID 169414913) is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide is COc1ccc2c(c1)OCC(CNC(=O)c1cccc(-c3ccc(C)nn3)c1)C2.
What is the InChIKey of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is PALQHTODPQCTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-6-9-21(26-25-15)17-4-3-5-19(11-17)23(27)24-13-16-10-18-7-8-20(28-2)12-22(18)29-14-16/h3-9,11-12,16H,10,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide?
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 169414913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).