6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C15H23N3O3 — CID 133495372

IUPAC6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)nc1
InChIInChI=1S/C15H23N3O3/c1-21-9-8-16-15(20)11-6-7-14(17-10-11)18-12-4-2-3-5-13(12)19/h6-7,10,12-13,19H,2-5,8-9H2,1H3,(H,16,20)(H,17,18)/t12-,13-/m0/s1
InChIKeyJGOCUYIEKKVGEB-STQMWFEESA-N
MW293.37 g/mol
LogP1.17
Rot. Bonds6

About 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 133495372) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID133495372
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)nc1
InChIInChI=1S/C15H23N3O3/c1-21-9-8-16-15(20)11-6-7-14(17-10-11)18-12-4-2-3-5-13(12)19/h6-7,10,12-13,19H,2-5,8-9H2,1H3,(H,16,20)(H,17,18)/t12-,13-/m0/s1
InChIKeyJGOCUYIEKKVGEB-STQMWFEESA-N
XLogP1.17
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133447591
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
6-[(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133435953
6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 95614167
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 133495372) is 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2O)nc1.
What is the InChIKey of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is JGOCUYIEKKVGEB-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-9-8-16-15(20)11-6-7-14(17-10-11)18-12-4-2-3-5-13(12)19/h6-7,10,12-13,19H,2-5,8-9H2,1H3,(H,16,20)(H,17,18)/t12-,13-/m0/s1.
What are the key properties of 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 133495372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).