methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol

C24H26N2O3 — CID 155364489

IUPACmethoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol
SMILESCOC(O)c1ccncc1NC[C@H]1CCOc2cc(-c3ccccc3C)ccc21
InChIInChI=1S/C24H26N2O3/c1-16-5-3-4-6-19(16)17-7-8-20-18(10-12-29-23(20)13-17)14-26-22-15-25-11-9-21(22)24(27)28-2/h3-9,11,13,15,18,24,26-27H,10,12,14H2,1-2H3/t18-,24?/m1/s1
InChIKeyFVWMRYFTBFUZDJ-QFADGXAASA-N
MW390.48 g/mol
LogP4.67
Rot. Bonds6

About methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol

methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol (PubChem CID 155364489) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Namemethoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol
PubChem CID155364489
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol
SMILESCOC(O)c1ccncc1NC[C@H]1CCOc2cc(-c3ccccc3C)ccc21
InChIInChI=1S/C24H26N2O3/c1-16-5-3-4-6-19(16)17-7-8-20-18(10-12-29-23(20)13-17)14-26-22-15-25-11-9-21(22)24(27)28-2/h3-9,11,13,15,18,24,26-27H,10,12,14H2,1-2H3/t18-,24?/m1/s1
InChIKeyFVWMRYFTBFUZDJ-QFADGXAASA-N
XLogP4.67
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 118606488
[3-[[(4R)-7-(N,4-dimethylanilino)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanediol
CID 155313897
methyl 3-[2-[(4R)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylate
CID 159424478
methyl 3-[[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
CID 155313811
3-[[7-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 118606527
3-[[7-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carbaldehyde
CID 144656411
3-[[7-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 77105139
N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
CID 129186352
(1S)-1-[4-[[(5R)-5-[[[4-[hydroxy(methoxy)methyl]-3-pyridinyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-methylamino]phenyl]ethanol
CID 126657164
methyl 3-[[(4R)-7-[methyl-(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
CID 118598005
methyl 3-[[(4S)-7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
CID 118598155
3-[[(4S)-7-cyclopropyl-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carbaldehyde;ethane;methanol
CID 144656504

Frequently Asked Questions

What is the IUPAC name of methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol?
The IUPAC name of methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol (CID 155364489) is methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol?
The canonical SMILES for methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol is COC(O)c1ccncc1NC[C@H]1CCOc2cc(-c3ccccc3C)ccc21.
What is the InChIKey of methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol?
The InChIKey is FVWMRYFTBFUZDJ-QFADGXAASA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-5-3-4-6-19(16)17-7-8-20-18(10-12-29-23(20)13-17)14-26-22-15-25-11-9-21(22)24(27)28-2/h3-9,11,13,15,18,24,26-27H,10,12,14H2,1-2H3/t18-,24?/m1/s1.
What are the key properties of methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol?
methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol has a molecular weight of 390.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 155364489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).