N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid

C17H30N2O5 — CID 132897269

IUPACN,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid
SMILESCCCCN(CCCC)C(=O)C1=CCCN(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H28N2O.C2H2O4/c1-4-6-11-17(12-7-5-2)15(18)14-9-8-10-16(3)13-14;3-1(4)2(5)6/h9H,4-8,10-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFPQZPMSEQYPSQR-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.83
Rot. Bonds7

About N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid

N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid (PubChem CID 132897269) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid.

Molecular Properties

Compound NameN,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid
PubChem CID132897269
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC NameN,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid
SMILESCCCCN(CCCC)C(=O)C1=CCCN(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H28N2O.C2H2O4/c1-4-6-11-17(12-7-5-2)15(18)14-9-8-10-16(3)13-14;3-1(4)2(5)6/h9H,4-8,10-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyFPQZPMSEQYPSQR-UHFFFAOYSA-N
XLogP1.83
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N,1-dimethyl-3,6-dihydro-2H-pyridine-5-carboxamide
CID 15048511
4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-N,N-dipropyl-1,2-oxazol-5-amine;oxalic acid
CID 19603626
prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 2229
chloromethyl octanoate;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 70414758
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one
CID 14330045
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-morpholin-4-ylmethanone
CID 45097220
benzoic acid;dibutylcarbamic acid
CID 160812669
1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 45086400
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
1-butyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-ethylurea
CID 78890521
N-ethyl-3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazol-5-amine;oxalic acid
CID 19603590

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid?
The IUPAC name of N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid (CID 132897269) is N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid.
What is the SMILES notation for N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid?
The canonical SMILES for N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid is CCCCN(CCCC)C(=O)C1=CCCN(C)C1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid?
The InChIKey is FPQZPMSEQYPSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.C2H2O4/c1-4-6-11-17(12-7-5-2)15(18)14-9-8-10-16(3)13-14;3-1(4)2(5)6/h9H,4-8,10-13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid?
N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid has a molecular weight of 342.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide;oxalic acid is sourced from PubChem (CID 132897269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).