2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

C29H37FN2O3 — CID 14983489

IUPAC2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
InChIInChI=1S/C29H37FN2O3/c1-19(7-6-8-20-9-11-22(30)12-10-20)21-15-25(34-5)28-23-17-32(18-27(33)31-4)14-13-24(23)29(2,3)35-26(28)16-21/h9-12,15-16,19H,6-8,13-14,17-18H2,1-5H3,(H,31,33)
InChIKeyJYRSFOWXFFRZNP-UHFFFAOYSA-N
MW480.62 g/mol
LogP5.34
Rot. Bonds8

About 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (PubChem CID 14983489) has the molecular formula C29H37FN2O3 and a molecular weight of 480.62 g/mol. Its IUPAC name is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
PubChem CID14983489
Molecular FormulaC29H37FN2O3
Molecular Weight480.62 g/mol
Exact Mass480.28
IUPAC Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
InChIInChI=1S/C29H37FN2O3/c1-19(7-6-8-20-9-11-22(30)12-10-20)21-15-25(34-5)28-23-17-32(18-27(33)31-4)14-13-24(23)29(2,3)35-26(28)16-21/h9-12,15-16,19H,6-8,13-14,17-18H2,1-5H3,(H,31,33)
InChIKeyJYRSFOWXFFRZNP-UHFFFAOYSA-N
XLogP5.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (CID 14983489) is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is CNC(=O)CN1CCC2=C(C1)c1c(OC)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C.
What is the InChIKey of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The InChIKey is JYRSFOWXFFRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN2O3/c1-19(7-6-8-20-9-11-22(30)12-10-20)21-15-25(34-5)28-23-17-32(18-27(33)31-4)14-13-24(23)29(2,3)35-26(28)16-21/h9-12,15-16,19H,6-8,13-14,17-18H2,1-5H3,(H,31,33).
What are the key properties of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide has a molecular weight of 480.62 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is sourced from PubChem (CID 14983489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).