N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

C21H27N3O2 — CID 51282378

IUPACN-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-16(20(26)23-21(15-22)11-3-2-4-12-21)24-13-9-18(10-14-24)17-5-7-19(25)8-6-17/h5-9,16,25H,2-4,10-14H2,1H3,(H,23,26)
InChIKeySTUQPQPOHQQZOP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.21
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 51282378) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID51282378
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(C(=O)NC1(C#N)CCCCC1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H27N3O2/c1-16(20(26)23-21(15-22)11-3-2-4-12-21)24-13-9-18(10-14-24)17-5-7-19(25)8-6-17/h5-9,16,25H,2-4,10-14H2,1H3,(H,23,26)
InChIKeySTUQPQPOHQQZOP-UHFFFAOYSA-N
XLogP3.21
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282418
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289685
N-(1-cyanocyclohexyl)-2,2-diphenylacetamide
CID 78830716
N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide
CID 128947363
N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-4-fluorobenzamide
CID 42955044
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
CID 30172737
N-(1-cyanocyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532258
N-(1-cyanocyclohexyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]propanamide
CID 55988494
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 51282378) is N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is CC(C(=O)NC1(C#N)CCCCC1)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is STUQPQPOHQQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(20(26)23-21(15-22)11-3-2-4-12-21)24-13-9-18(10-14-24)17-5-7-19(25)8-6-17/h5-9,16,25H,2-4,10-14H2,1H3,(H,23,26).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 51282378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).