trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide

C15H23N3O2 — CID 91772201

IUPACtrans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCc1cnccc1NCCNC(=O)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H23N3O2/c1-11-10-16-6-5-14(11)17-7-8-18-15(20)12-3-2-4-13(19)9-12/h5-6,10,12-13,19H,2-4,7-9H2,1H3,(H,16,17)(H,18,20)/t12-,13-/m0/s1
InChIKeyYOOUGEYIVWATGP-STQMWFEESA-N
MW277.37 g/mol
LogP1.47
Rot. Bonds5

About trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide

trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide (PubChem CID 91772201) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide
PubChem CID91772201
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametrans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide
SMILESCc1cnccc1NCCNC(=O)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H23N3O2/c1-11-10-16-6-5-14(11)17-7-8-18-15(20)12-3-2-4-13(19)9-12/h5-6,10,12-13,19H,2-4,7-9H2,1H3,(H,16,17)(H,18,20)/t12-,13-/m0/s1
InChIKeyYOOUGEYIVWATGP-STQMWFEESA-N
XLogP1.47
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-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

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72860084
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72894497
7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72885940
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131914638
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 122558372
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584
3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 131935565
cis-(1R,3S)-3-hydroxy-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclohexane-1-carboxamide
CID 133267041
(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 126448162
2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131945076
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide (CID 91772201) is trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide is Cc1cnccc1NCCNC(=O)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide?
The InChIKey is YOOUGEYIVWATGP-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-10-16-6-5-14(11)17-7-8-18-15(20)12-3-2-4-13(19)9-12/h5-6,10,12-13,19H,2-4,7-9H2,1H3,(H,16,17)(H,18,20)/t12-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide?
trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91772201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).