N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide

C17H27N3O2 — CID 29303331

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C17H27N3O2/c1-12-6-7-15(8-18-12)16(21)19-11-17(4,5)20-9-13(2)22-14(3)10-20/h6-8,13-14H,9-11H2,1-5H3,(H,19,21)/t13-,14+
InChIKeyUFNQYNWXWFUFNZ-OKILXGFUSA-N
MW305.42 g/mol
LogP2.01
Rot. Bonds4

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide (PubChem CID 29303331) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
PubChem CID29303331
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cn1
InChIInChI=1S/C17H27N3O2/c1-12-6-7-15(8-18-12)16(21)19-11-17(4,5)20-9-13(2)22-14(3)10-20/h6-8,13-14H,9-11H2,1-5H3,(H,19,21)/t13-,14+
InChIKeyUFNQYNWXWFUFNZ-OKILXGFUSA-N
XLogP2.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
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]-5-methylfuran-2-carboxamide
CID 29294243
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 124881869

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide (CID 29303331) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cn1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide?
The InChIKey is UFNQYNWXWFUFNZ-OKILXGFUSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-6-7-15(8-18-12)16(21)19-11-17(4,5)20-9-13(2)22-14(3)10-20/h6-8,13-14H,9-11H2,1-5H3,(H,19,21)/t13-,14+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 29303331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).