N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide

C20H32N4O2 — CID 162798076

IUPACN,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCC(NCc2cccnc2)CN(C)C(=O)C1
InChIInChI=1S/C20H32N4O2/c1-4-24(5-2)20(26)17-9-6-10-18(15-23(3)19(25)12-17)22-14-16-8-7-11-21-13-16/h7-8,11,13,17-18,22H,4-6,9-10,12,14-15H2,1-3H3
InChIKeyOIBDOBXATVZHBB-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.06
Rot. Bonds6

About N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide

N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide (PubChem CID 162798076) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide
PubChem CID162798076
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCC(NCc2cccnc2)CN(C)C(=O)C1
InChIInChI=1S/C20H32N4O2/c1-4-24(5-2)20(26)17-9-6-10-18(15-23(3)19(25)12-17)22-14-16-8-7-11-21-13-16/h7-8,11,13,17-18,22H,4-6,9-10,12,14-15H2,1-3H3
InChIKeyOIBDOBXATVZHBB-UHFFFAOYSA-N
XLogP2.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,8R)-8-[(3-chlorophenyl)methylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411811
(4R,8R)-8-(cyclobutylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411812
8-acetamido-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 162846292
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N,1-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)azonane-4-carboxamide
CID 162801577
8-(dimethylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 162798665
1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
CID 163001792
(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75529714
N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 162798634
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 86770821
8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162798658
8-[(3-chlorophenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162983100
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide (CID 162798076) is N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide is CCN(CC)C(=O)C1CCCC(NCc2cccnc2)CN(C)C(=O)C1.
What is the InChIKey of N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide?
The InChIKey is OIBDOBXATVZHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-24(5-2)20(26)17-9-6-10-18(15-23(3)19(25)12-17)22-14-16-8-7-11-21-13-16/h7-8,11,13,17-18,22H,4-6,9-10,12,14-15H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide?
N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide is sourced from PubChem (CID 162798076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).