N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide

C23H28ClN3O4 — CID 160689532

IUPACN-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC(NCC(O)COc2ccc(Cl)cc2)CC1)C1Cc2ccncc2O1
InChIInChI=1S/C23H28ClN3O4/c24-16-1-7-20(8-2-16)30-14-19(28)12-26-17-3-5-18(6-4-17)27-23(29)21-11-15-9-10-25-13-22(15)31-21/h1-2,7-10,13,17-19,21,26,28H,3-6,11-12,14H2,(H,27,29)
InChIKeyRPFMPLNQTGKBPQ-UHFFFAOYSA-N
MW445.95 g/mol
LogP2.50
Rot. Bonds8

About N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide

N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide (PubChem CID 160689532) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide
PubChem CID160689532
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC NameN-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1CCC(NCC(O)COc2ccc(Cl)cc2)CC1)C1Cc2ccncc2O1
InChIInChI=1S/C23H28ClN3O4/c24-16-1-7-20(8-2-16)30-14-19(28)12-26-17-3-5-18(6-4-17)27-23(29)21-11-15-9-10-25-13-22(15)31-21/h1-2,7-10,13,17-19,21,26,28H,3-6,11-12,14H2,(H,27,29)
InChIKeyRPFMPLNQTGKBPQ-UHFFFAOYSA-N
XLogP2.50
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide
CID 147622236
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
(2R)-1-(4-chlorophenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95337358
4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide
CID 166238845
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
2-[4-[[3-(4-chloro-3-fluorophenoxy)oxetan-3-yl]methylamino]cyclohexyl]-1-(2,3-dihydrofuro[2,3-c]pyridin-2-yl)ethanone
CID 148869860
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide (CID 160689532) is N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide is O=C(NC1CCC(NCC(O)COc2ccc(Cl)cc2)CC1)C1Cc2ccncc2O1.
What is the InChIKey of N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide?
The InChIKey is RPFMPLNQTGKBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4/c24-16-1-7-20(8-2-16)30-14-19(28)12-26-17-3-5-18(6-4-17)27-23(29)21-11-15-9-10-25-13-22(15)31-21/h1-2,7-10,13,17-19,21,26,28H,3-6,11-12,14H2,(H,27,29).
What are the key properties of N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide?
N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]cyclohexyl]-2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 160689532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).