N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

C22H26FN3O2 — CID 37320361

IUPACN-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cn2)C[C@H](C)O1
InChIInChI=1S/C22H26FN3O2/c1-15-12-25(13-16(2)28-15)21-10-7-17(11-24-21)22(27)26(19-8-9-19)14-18-5-3-4-6-20(18)23/h3-7,10-11,15-16,19H,8-9,12-14H2,1-2H3/t15-,16+
InChIKeyIWRRHVCIPXUYMM-IYBDPMFKSA-N
MW383.47 g/mol
LogP3.64
Rot. Bonds5

About N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 37320361) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID37320361
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cn2)C[C@H](C)O1
InChIInChI=1S/C22H26FN3O2/c1-15-12-25(13-16(2)28-15)21-10-7-17(11-24-21)22(27)26(19-8-9-19)14-18-5-3-4-6-20(18)23/h3-7,10-11,15-16,19H,8-9,12-14H2,1-2H3/t15-,16+
InChIKeyIWRRHVCIPXUYMM-IYBDPMFKSA-N
XLogP3.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-N-ethylpyridine-3-carboxamide
CID 112820622
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 37319435
prop-2-ynyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 97311380
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39898275
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 37319565
5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 103803267
N-(2-benzylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43068945
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
CID 55960129
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702055
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 94526475

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 37320361) is N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is C[C@@H]1CN(c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cn2)C[C@H](C)O1.
What is the InChIKey of N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is IWRRHVCIPXUYMM-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15-12-25(13-16(2)28-15)21-10-7-17(11-24-21)22(27)26(19-8-9-19)14-18-5-3-4-6-20(18)23/h3-7,10-11,15-16,19H,8-9,12-14H2,1-2H3/t15-,16+.
What are the key properties of N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 37320361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).