6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H28N4O3 — CID 95614167

IUPAC6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCN2C[C@@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C17H28N4O3/c1-13-11-21(12-14(2)24-13)8-6-18-16-5-4-15(10-20-16)17(22)19-7-9-23-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,18,20)(H,19,22)/t13-,14+
InChIKeyADMVGIVFUJWGTP-OKILXGFUSA-N
MW336.44 g/mol
LogP0.98
Rot. Bonds8

About 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 95614167) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID95614167
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCN2C[C@@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C17H28N4O3/c1-13-11-21(12-14(2)24-13)8-6-18-16-5-4-15(10-20-16)17(22)19-7-9-23-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,18,20)(H,19,22)/t13-,14+
InChIKeyADMVGIVFUJWGTP-OKILXGFUSA-N
XLogP0.98
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133447591
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153848
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 95614167) is 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(NCCN2C[C@@H](C)O[C@@H](C)C2)nc1.
What is the InChIKey of 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is ADMVGIVFUJWGTP-OKILXGFUSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-11-21(12-14(2)24-13)8-6-18-16-5-4-15(10-20-16)17(22)19-7-9-23-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,18,20)(H,19,22)/t13-,14+.
What are the key properties of 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 95614167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).