N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride

C15H25Cl2N3O2 — CID 119899958

IUPACN-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
SMILESCC(C)C(CNC(=O)C1COCCN1)c1cccnc1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-11(2)13(12-4-3-5-16-8-12)9-18-15(19)14-10-20-7-6-17-14;;/h3-5,8,11,13-14,17H,6-7,9-10H2,1-2H3,(H,18,19);2*1H
InChIKeyNUSLEVGPZSDZIX-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.77
Rot. Bonds5

About N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride

N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 119899958) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
PubChem CID119899958
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC NameN-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
SMILESCC(C)C(CNC(=O)C1COCCN1)c1cccnc1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-11(2)13(12-4-3-5-16-8-12)9-18-15(19)14-10-20-7-6-17-14;;/h3-5,8,11,13-14,17H,6-7,9-10H2,1-2H3,(H,18,19);2*1H
InChIKeyNUSLEVGPZSDZIX-UHFFFAOYSA-N
XLogP1.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119899980
N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119831374
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119830916
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119860439
(3R)-N-[(1S)-1-phenylethyl]morpholine-3-carboxamide
CID 16681349
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119866459
(3R)-N-[(2R)-2-methylsulfanylpropyl]morpholine-3-carboxamide
CID 99596683
N-[2-(2-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119804849
N-(2-hydroxy-3-methylpentyl)morpholine-3-carboxamide;hydrochloride
CID 119784019
N-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-3-carboxamide;dihydrochloride
CID 119856776
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride (CID 119899958) is N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride is CC(C)C(CNC(=O)C1COCCN1)c1cccnc1.Cl.Cl.
What is the InChIKey of N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is NUSLEVGPZSDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c1-11(2)13(12-4-3-5-16-8-12)9-18-15(19)14-10-20-7-6-17-14;;/h3-5,8,11,13-14,17H,6-7,9-10H2,1-2H3,(H,18,19);2*1H.
What are the key properties of N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride?
N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119899958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).