N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride

C21H28ClN3O2 — CID 110173845

IUPACN,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride
SMILESCN(C)C(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccn1.[Cl-]
InChIInChI=1S/C21H27N3O2.ClH/c1-23(2)20(25)21(18-8-4-3-5-9-18,19-10-6-7-12-22-19)11-13-24-14-16-26-17-15-24;/h3-10,12H,11,13-17H2,1-2H3;1H
InChIKeyVTXBLJAEOCUYAO-UHFFFAOYSA-N
MW389.93 g/mol
LogP-2.23
Rot. Bonds6

About N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride

N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride (PubChem CID 110173845) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride.

Molecular Properties

Compound NameN,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride
PubChem CID110173845
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride
SMILESCN(C)C(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccn1.[Cl-]
InChIInChI=1S/C21H27N3O2.ClH/c1-23(2)20(25)21(18-8-4-3-5-9-18,19-10-6-7-12-22-19)11-13-24-14-16-26-17-15-24;/h3-10,12H,11,13-17H2,1-2H3;1H
InChIKeyVTXBLJAEOCUYAO-UHFFFAOYSA-N
XLogP-2.23
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[di(propan-2-yl)amino]-N,N',N'-trimethyl-2-phenyl-2-pyridin-2-ylbutanehydrazide
CID 23277066
4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid
CID 101017152
4-morpholin-4-ium-4-yl-2,2-dipyridin-2-yl-1-pyrrolidin-1-ylpentan-1-one chloride
CID 110173853
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097
N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
CID 3030672
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide
CID 45038869
3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate
CID 102184338
4-[bis(2-chloroethyl)amino]-N,N-dimethyl-2,2-diphenylbutanamide
CID 11524308
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride?
The IUPAC name of N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride (CID 110173845) is N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride.
What is the SMILES notation for N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride?
The canonical SMILES for N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride is CN(C)C(=O)C(CC[NH+]1CCOCC1)(c1ccccc1)c1ccccn1.[Cl-].
What is the InChIKey of N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride?
The InChIKey is VTXBLJAEOCUYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-23(2)20(25)21(18-8-4-3-5-9-18,19-10-6-7-12-22-19)11-13-24-14-16-26-17-15-24;/h3-10,12H,11,13-17H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride?
N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride has a molecular weight of 389.93 g/mol, XLogP of -2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride is sourced from PubChem (CID 110173845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).