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

C13H21Cl2N3O2 — CID 154911195

IUPACN-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCc1ccccn1)C1CNCCO1
InChIInChI=1S/C13H19N3O2.2ClH/c17-13(12-10-14-8-9-18-12)16-7-3-5-11-4-1-2-6-15-11;;/h1-2,4,6,12,14H,3,5,7-10H2,(H,16,17);2*1H
InChIKeyQIKLTTJXPSUCCG-UHFFFAOYSA-N
MW322.24 g/mol
LogP0.96
Rot. Bonds5

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

N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 154911195) has the molecular formula C13H21Cl2N3O2 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
PubChem CID154911195
Molecular FormulaC13H21Cl2N3O2
Molecular Weight322.24 g/mol
Exact Mass321.10
IUPAC NameN-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCc1ccccn1)C1CNCCO1
InChIInChI=1S/C13H19N3O2.2ClH/c17-13(12-10-14-8-9-18-12)16-7-3-5-11-4-1-2-6-15-11;;/h1-2,4,6,12,14H,3,5,7-10H2,(H,16,17);2*1H
InChIKeyQIKLTTJXPSUCCG-UHFFFAOYSA-N
XLogP0.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
CID 119838296
N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
CID 64531342
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-2-carboxamide;dihydrochloride
CID 119840691
N-[3-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119846119
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
CID 119851357
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
(2S)-N-[(3-methyl-2-pyridinyl)methyl]morpholine-2-carboxamide
CID 92632288
(2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 99824773

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride (CID 154911195) is N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCc1ccccn1)C1CNCCO1.
What is the InChIKey of N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is QIKLTTJXPSUCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.2ClH/c17-13(12-10-14-8-9-18-12)16-7-3-5-11-4-1-2-6-15-11;;/h1-2,4,6,12,14H,3,5,7-10H2,(H,16,17);2*1H.
What are the key properties of N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride?
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154911195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).