4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one

C28H30ClN3O3 — CID 90013579

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OCc2ccc(Cl)cn2)c1C1=Cc2ccc(CNC3CCC(O)CC3)cc2CC1
InChIInChI=1S/C28H30ClN3O3/c29-22-5-6-24(32-16-22)17-35-26-11-12-30-28(34)27(26)21-4-3-19-13-18(1-2-20(19)14-21)15-31-23-7-9-25(33)10-8-23/h1-2,5-6,11-14,16,23,25,31,33H,3-4,7-10,15,17H2,(H,30,34)
InChIKeyDGLWPJVBVBNXPH-UHFFFAOYSA-N
MW492.02 g/mol
LogP4.88
Rot. Bonds7

About 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one (PubChem CID 90013579) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one
PubChem CID90013579
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OCc2ccc(Cl)cn2)c1C1=Cc2ccc(CNC3CCC(O)CC3)cc2CC1
InChIInChI=1S/C28H30ClN3O3/c29-22-5-6-24(32-16-22)17-35-26-11-12-30-28(34)27(26)21-4-3-19-13-18(1-2-20(19)14-21)15-31-23-7-9-25(33)10-8-23/h1-2,5-6,11-14,16,23,25,31,33H,3-4,7-10,15,17H2,(H,30,34)
InChIKeyDGLWPJVBVBNXPH-UHFFFAOYSA-N
XLogP4.88
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1H-pyridin-3-yl]-7,8-dihydronaphthalen-2-yl]methyl-(2,2-dihydroxythian-4-yl)amino]acetamide
CID 90013847
N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide
CID 90014360
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 154064888
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90013895
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(oxan-4-ylmethylamino)methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90014022
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90023131
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclohexan-1-ol
CID 55034873
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one (CID 90013579) is 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one is O=c1[nH]ccc(OCc2ccc(Cl)cn2)c1C1=Cc2ccc(CNC3CCC(O)CC3)cc2CC1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one?
The InChIKey is DGLWPJVBVBNXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c29-22-5-6-24(32-16-22)17-35-26-11-12-30-28(34)27(26)21-4-3-19-13-18(1-2-20(19)14-21)15-31-23-7-9-25(33)10-8-23/h1-2,5-6,11-14,16,23,25,31,33H,3-4,7-10,15,17H2,(H,30,34).
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one has a molecular weight of 492.02 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90013579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).