N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H23ClN2O2 — CID 168937998

IUPACN-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)(COCc1ccccc1Cl)NC(=O)c1cnc2c(c1)CCC2
InChIInChI=1S/C20H23ClN2O2/c1-20(2,13-25-12-15-6-3-4-8-17(15)21)23-19(24)16-10-14-7-5-9-18(14)22-11-16/h3-4,6,8,10-11H,5,7,9,12-13H2,1-2H3,(H,23,24)
InChIKeyPXARIHVVLBGJNM-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.95
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 168937998) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID168937998
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)(COCc1ccccc1Cl)NC(=O)c1cnc2c(c1)CCC2
InChIInChI=1S/C20H23ClN2O2/c1-20(2,13-25-12-15-6-3-4-8-17(15)21)23-19(24)16-10-14-7-5-9-18(14)22-11-16/h3-4,6,8,10-11H,5,7,9,12-13H2,1-2H3,(H,23,24)
InChIKeyPXARIHVVLBGJNM-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 168937998) is N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CC(C)(COCc1ccccc1Cl)NC(=O)c1cnc2c(c1)CCC2.
What is the InChIKey of N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is PXARIHVVLBGJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-20(2,13-25-12-15-6-3-4-8-17(15)21)23-19(24)16-10-14-7-5-9-18(14)22-11-16/h3-4,6,8,10-11H,5,7,9,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methoxy]-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 168937998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).