N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide

C19H22N2O3 — CID 111433298

IUPACN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C19H22N2O3/c22-17-5-1-2-6-18(17)24-16-9-7-15(8-10-16)21-19(23)12-14-4-3-11-20-13-14/h3-4,7-11,13,17-18,22H,1-2,5-6,12H2,(H,21,23)
InChIKeyHHDHMDNRZSCDJU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.95
Rot. Bonds5

About N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide (PubChem CID 111433298) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide
PubChem CID111433298
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C19H22N2O3/c22-17-5-1-2-6-18(17)24-16-9-7-15(8-10-16)21-19(23)12-14-4-3-11-20-13-14/h3-4,7-11,13,17-18,22H,1-2,5-6,12H2,(H,21,23)
InChIKeyHHDHMDNRZSCDJU-UHFFFAOYSA-N
XLogP2.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide
CID 166281655
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780
2,4-dimethyl-3-[3-[4-[(2-pyridin-3-ylacetyl)amino]phenoxy]azetidin-1-yl]benzoic acid
CID 175888444
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-pyridin-3-ylacetamide
CID 131931518
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
1-[4-(cyclopentyloxymethyl)phenyl]-3-[(2-pyridin-3-ylacetyl)amino]urea
CID 166211516
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
trans-(1R,2R)-2-[4-[(3-chloro-4-pyridinyl)amino]phenoxy]cyclohexan-1-ol
CID 167975932
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide (CID 111433298) is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide?
The InChIKey is HHDHMDNRZSCDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17-5-1-2-6-18(17)24-16-9-7-15(8-10-16)21-19(23)12-14-4-3-11-20-13-14/h3-4,7-11,13,17-18,22H,1-2,5-6,12H2,(H,21,23).
What are the key properties of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide?
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 111433298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).