N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide

C17H26N2O2 — CID 154665764

IUPACN-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide
SMILESO=C(CCCCCc1cccnc1)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c20-16-10-8-15(9-11-16)19-17(21)7-3-1-2-5-14-6-4-12-18-13-14/h4,6,12-13,15-16,20H,1-3,5,7-11H2,(H,19,21)
InChIKeyRCKJPGCTMFRKMH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.60
Rot. Bonds7

About N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide

N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide (PubChem CID 154665764) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide
PubChem CID154665764
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide
SMILESO=C(CCCCCc1cccnc1)NC1CCC(O)CC1
InChIInChI=1S/C17H26N2O2/c20-16-10-8-15(9-11-16)19-17(21)7-3-1-2-5-14-6-4-12-18-13-14/h4,6,12-13,15-16,20H,1-3,5,7-11H2,(H,19,21)
InChIKeyRCKJPGCTMFRKMH-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-3-hydroxy-5-methyl-5-{[(1S)-2-methyl-1-[(pyridin-4-ylmethyl)carbamoyl]propyl]carbamoyl}-1-phenylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamate
CID 23644687
N-[(1S)-1-benzyl-2-hydroxyethyl]-4-pyridin-4-ylbenzamide
CID 68513305
4-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 836345
2-(1-{2-Oxo-2-[(4-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid
CID 2738272
3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 24819620
N-(pyridin-4-ylmethyl)cyclohexanecarboxamide
CID 823684
4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 836347
(2R,4S,5S)-4-hydroxy-5-[[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]amino]-2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]-6-phenylhexanamide
CID 9808761
7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid amide
CID 13417329
7,7-Diphenyl-hept-6-enoic acid (4-pyridin-3-yl-butyl)-amide
CID 15097565
N-(4-hydroxycyclohexyl)-6-pyridin-2-ylhexanamide
CID 154665747

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide (CID 154665764) is N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide is O=C(CCCCCc1cccnc1)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide?
The InChIKey is RCKJPGCTMFRKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16-10-8-15(9-11-16)19-17(21)7-3-1-2-5-14-6-4-12-18-13-14/h4,6,12-13,15-16,20H,1-3,5,7-11H2,(H,19,21).
What are the key properties of N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide?
N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide has a molecular weight of 290.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide is sourced from PubChem (CID 154665764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).