N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide

C30H33ClN4O3 — CID 90014360

IUPACN-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CC1
InChIInChI=1S/C30H33ClN4O3/c1-20(36)34-26-9-7-25(8-10-26)32-17-21-2-3-23-15-28(11-4-22(23)14-21)35-13-12-29(16-30(35)37)38-19-27-6-5-24(31)18-33-27/h2-3,5-6,12-16,18,25-26,32H,4,7-11,17,19H2,1H3,(H,34,36)
InChIKeySSAJPSXZVAXFOG-UHFFFAOYSA-N
MW533.07 g/mol
LogP4.96
Rot. Bonds8

About N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide

N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide (PubChem CID 90014360) has the molecular formula C30H33ClN4O3 and a molecular weight of 533.07 g/mol. Its IUPAC name is N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide
PubChem CID90014360
Molecular FormulaC30H33ClN4O3
Molecular Weight533.07 g/mol
Exact Mass532.22
IUPAC NameN-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CC1
InChIInChI=1S/C30H33ClN4O3/c1-20(36)34-26-9-7-25(8-10-26)32-17-21-2-3-23-15-28(11-4-22(23)14-21)35-13-12-29(16-30(35)37)38-19-27-6-5-24(31)18-33-27/h2-3,5-6,12-16,18,25-26,32H,4,7-11,17,19H2,1H3,(H,34,36)
InChIKeySSAJPSXZVAXFOG-UHFFFAOYSA-N
XLogP4.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.07
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide with MolForge

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Related Compounds

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
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[(1,1-dioxothian-4-yl)methylamino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90023174
1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 90022727
4-[(5-chloro-2-pyridinyl)methoxy]-3-[6-[[(4-hydroxycyclohexyl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-1H-pyridin-2-one
CID 90013579
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-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
CID 66831802
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
CID 90023118
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 66831685
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
CID 11510514

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide (CID 90014360) is N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(NCc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CC1.
What is the InChIKey of N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide?
The InChIKey is SSAJPSXZVAXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN4O3/c1-20(36)34-26-9-7-25(8-10-26)32-17-21-2-3-23-15-28(11-4-22(23)14-21)35-13-12-29(16-30(35)37)38-19-27-6-5-24(31)18-33-27/h2-3,5-6,12-16,18,25-26,32H,4,7-11,17,19H2,1H3,(H,34,36).
What are the key properties of N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide?
N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide has a molecular weight of 533.07 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 90014360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).