N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride

C12H19Cl2N3O2 — CID 119827893

IUPACN-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ccccn1)C1COCCN1
InChIInChI=1S/C12H17N3O2.2ClH/c16-12(11-9-17-8-7-14-11)15-6-4-10-3-1-2-5-13-10;;/h1-3,5,11,14H,4,6-9H2,(H,15,16);2*1H
InChIKeyCGPZWEQKVCUCTB-UHFFFAOYSA-N
MW308.21 g/mol
LogP0.57
Rot. Bonds4

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

N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 119827893) has the molecular formula C12H19Cl2N3O2 and a molecular weight of 308.21 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
PubChem CID119827893
Molecular FormulaC12H19Cl2N3O2
Molecular Weight308.21 g/mol
Exact Mass307.09
IUPAC NameN-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ccccn1)C1COCCN1
InChIInChI=1S/C12H17N3O2.2ClH/c16-12(11-9-17-8-7-14-11)15-6-4-10-3-1-2-5-13-10;;/h1-3,5,11,14H,4,6-9H2,(H,15,16);2*1H
InChIKeyCGPZWEQKVCUCTB-UHFFFAOYSA-N
XLogP0.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
CID 119854546
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119869432
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]morpholine-3-carboxamide
CID 106397412
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119741106
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66265963
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride (CID 119827893) is N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCc1ccccn1)C1COCCN1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is CGPZWEQKVCUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.2ClH/c16-12(11-9-17-8-7-14-11)15-6-4-10-3-1-2-5-13-10;;/h1-3,5,11,14H,4,6-9H2,(H,15,16);2*1H.
What are the key properties of N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride?
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 308.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119827893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).