N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide

C25H27N3O2 — CID 43071668

IUPACN-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cn2)CC(C)O1
InChIInChI=1S/C25H27N3O2/c1-18-16-28(17-19(2)30-18)23-14-13-22(15-26-23)25(29)27-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,18-19,24H,16-17H2,1-2H3,(H,27,29)
InChIKeyMZPOQYHFGULOLE-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.21
Rot. Bonds5

About N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide

N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide (PubChem CID 43071668) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
PubChem CID43071668
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cn2)CC(C)O1
InChIInChI=1S/C25H27N3O2/c1-18-16-28(17-19(2)30-18)23-14-13-22(15-26-23)25(29)27-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,18-19,24H,16-17H2,1-2H3,(H,27,29)
InChIKeyMZPOQYHFGULOLE-UHFFFAOYSA-N
XLogP4.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700403
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700400
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
[(1R)-2-amino-2-oxo-1-phenylethyl] 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxylate
CID 100851644
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]pyridine-3-carboxamide
CID 98718477
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide
CID 97311490
N-(2-benzylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43068945
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39898275
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide (CID 43071668) is N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide is CC1CN(c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cn2)CC(C)O1.
What is the InChIKey of N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The InChIKey is MZPOQYHFGULOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-16-28(17-19(2)30-18)23-14-13-22(15-26-23)25(29)27-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,18-19,24H,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 43071668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).