N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide

C16H25N3O2 — CID 47019977

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccncc2)CC(C)O1
InChIInChI=1S/C16H25N3O2/c1-12-9-19(10-13(2)21-12)16(3,4)11-18-15(20)14-5-7-17-8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,18,20)
InChIKeyHBLLALBBVWJATP-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.70
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 47019977) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
PubChem CID47019977
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccncc2)CC(C)O1
InChIInChI=1S/C16H25N3O2/c1-12-9-19(10-13(2)21-12)16(3,4)11-18-15(20)14-5-7-17-8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,18,20)
InChIKeyHBLLALBBVWJATP-UHFFFAOYSA-N
XLogP1.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 124881869
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide (CID 47019977) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide is CC1CN(C(C)(C)CNC(=O)c2ccncc2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is HBLLALBBVWJATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-9-19(10-13(2)21-12)16(3,4)11-18-15(20)14-5-7-17-8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 47019977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).