N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

C20H20F2N2O3 — CID 121389354

IUPACN-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4c(c3)C(F)(F)CCO4)cncc21
InChIInChI=1S/C20H20F2N2O3/c1-2-19(25)24-17-11-26-10-15-13(8-23-9-14(15)17)12-3-4-18-16(7-12)20(21,22)5-6-27-18/h3-4,7-9,17H,2,5-6,10-11H2,1H3,(H,24,25)
InChIKeyFLXCREPQNQGLQN-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.72
Rot. Bonds3

About N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (PubChem CID 121389354) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound NameN-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
PubChem CID121389354
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC NameN-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4c(c3)C(F)(F)CCO4)cncc21
InChIInChI=1S/C20H20F2N2O3/c1-2-19(25)24-17-11-26-10-15-13(8-23-9-14(15)17)12-3-4-18-16(7-12)20(21,22)5-6-27-18/h3-4,7-9,17H,2,5-6,10-11H2,1H3,(H,24,25)
InChIKeyFLXCREPQNQGLQN-UHFFFAOYSA-N
XLogP3.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The IUPAC name of N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (CID 121389354) is N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is CCC(=O)NC1COCc2c(-c3ccc4c(c3)C(F)(F)CCO4)cncc21.
What is the InChIKey of N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is FLXCREPQNQGLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-2-19(25)24-17-11-26-10-15-13(8-23-9-14(15)17)12-3-4-18-16(7-12)20(21,22)5-6-27-18/h3-4,7-9,17H,2,5-6,10-11H2,1H3,(H,24,25).
What are the key properties of N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 374.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4,4-difluoro-2,3-dihydrochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 121389354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).