(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone

C22H27N3O2 — CID 166189282

IUPAC(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2ccncc2)cc1)N1CC(O)CC1C1CCCCC1
InChIInChI=1S/C22H27N3O2/c26-20-14-21(16-4-2-1-3-5-16)25(15-20)22(27)17-6-8-18(9-7-17)24-19-10-12-23-13-11-19/h6-13,16,20-21,26H,1-5,14-15H2,(H,23,24)
InChIKeyQQSPUCMFZTZWJK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.98
Rot. Bonds4

About (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone

(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone (PubChem CID 166189282) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone
PubChem CID166189282
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2ccncc2)cc1)N1CC(O)CC1C1CCCCC1
InChIInChI=1S/C22H27N3O2/c26-20-14-21(16-4-2-1-3-5-16)25(15-20)22(27)17-6-8-18(9-7-17)24-19-10-12-23-13-11-19/h6-13,16,20-21,26H,1-5,14-15H2,(H,23,24)
InChIKeyQQSPUCMFZTZWJK-UHFFFAOYSA-N
XLogP3.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97248007
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
[(2R)-2-cyclohexylaziridin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 102336297
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-hydrazinylphenyl)methanone
CID 82752954
(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95628343
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754
[(2R)-2-cyclohexylaziridin-1-yl]-(4-nitrophenyl)methanone
CID 102168314
[(2S)-2-cyclohexylaziridin-1-yl]-(4-nitrophenyl)methanone
CID 102168315
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
(2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone
CID 47067075
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
[(2R,4S)-2,4-dicyclopropylpyrrolidin-1-yl]-[4-(triazol-1-ylmethyl)phenyl]methanone
CID 136586859

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone?
The IUPAC name of (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone (CID 166189282) is (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone.
What is the SMILES notation for (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone?
The canonical SMILES for (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone is O=C(c1ccc(Nc2ccncc2)cc1)N1CC(O)CC1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone?
The InChIKey is QQSPUCMFZTZWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-20-14-21(16-4-2-1-3-5-16)25(15-20)22(27)17-6-8-18(9-7-17)24-19-10-12-23-13-11-19/h6-13,16,20-21,26H,1-5,14-15H2,(H,23,24).
What are the key properties of (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone?
(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-[4-(pyridin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 166189282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).