N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride

C13H17Cl2N5O2 — CID 119846823

IUPACN-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-n2ccnc2)nc1)C1COCCN1
InChIInChI=1S/C13H15N5O2.2ClH/c19-13(11-8-20-6-4-15-11)17-10-1-2-12(16-7-10)18-5-3-14-9-18;;/h1-3,5,7,9,11,15H,4,6,8H2,(H,17,19);2*1H
InChIKeyIOQBDLXPKDEGSH-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.04
Rot. Bonds3

About N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride

N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 119846823) has the molecular formula C13H17Cl2N5O2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride
PubChem CID119846823
Molecular FormulaC13H17Cl2N5O2
Molecular Weight346.22 g/mol
Exact Mass345.08
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-n2ccnc2)nc1)C1COCCN1
InChIInChI=1S/C13H15N5O2.2ClH/c19-13(11-8-20-6-4-15-11)17-10-1-2-12(16-7-10)18-5-3-14-9-18;;/h1-3,5,7,9,11,15H,4,6,8H2,(H,17,19);2*1H
InChIKeyIOQBDLXPKDEGSH-UHFFFAOYSA-N
XLogP1.04
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 103813891
N-(6-imidazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
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N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-3-carboxamide
CID 82817726
N-(6-imidazol-1-yl-3-pyridinyl)-2-morpholin-2-ylacetamide;dihydrochloride
CID 119846852
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N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941131
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119762118
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 119698985
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119888475

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride (CID 119846823) is N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(-n2ccnc2)nc1)C1COCCN1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is IOQBDLXPKDEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.2ClH/c19-13(11-8-20-6-4-15-11)17-10-1-2-12(16-7-10)18-5-3-14-9-18;;/h1-3,5,7,9,11,15H,4,6,8H2,(H,17,19);2*1H.
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride?
N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 346.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119846823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).