N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H21ClN2O4 — CID 99936089

IUPACN-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC[C@@H](O)COc1ccc(Cl)cc1)CCC2
InChIInChI=1S/C19H21ClN2O4/c1-25-19-16(9-12-3-2-4-17(12)22-19)18(24)21-10-14(23)11-26-15-7-5-13(20)6-8-15/h5-9,14,23H,2-4,10-11H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyNOBLTYDZYLOBQP-CQSZACIVSA-N
MW376.84 g/mol
LogP2.40
Rot. Bonds7

About N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 99936089) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID99936089
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)NC[C@@H](O)COc1ccc(Cl)cc1)CCC2
InChIInChI=1S/C19H21ClN2O4/c1-25-19-16(9-12-3-2-4-17(12)22-19)18(24)21-10-14(23)11-26-15-7-5-13(20)6-8-15/h5-9,14,23H,2-4,10-11H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyNOBLTYDZYLOBQP-CQSZACIVSA-N
XLogP2.40
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide
CID 6975832
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97144352
N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide
CID 99928759
2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72866403
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79770932

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 99936089) is N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NC[C@@H](O)COc1ccc(Cl)cc1)CCC2.
What is the InChIKey of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is NOBLTYDZYLOBQP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-19-16(9-12-3-2-4-17(12)22-19)18(24)21-10-14(23)11-26-15-7-5-13(20)6-8-15/h5-9,14,23H,2-4,10-11H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 99936089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).