N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide

C19H28N4O3 — CID 138385690

IUPACN,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2CCCN(C(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-21(2)19(25)16-5-3-6-17(20-16)22-9-4-10-23(12-11-22)18(24)15-7-13-26-14-8-15/h3,5-6,15H,4,7-14H2,1-2H3
InChIKeyFHKUUHQXKFJUAI-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.25
Rot. Bonds3

About N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide

N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (PubChem CID 138385690) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
PubChem CID138385690
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2CCCN(C(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-21(2)19(25)16-5-3-6-17(20-16)22-9-4-10-23(12-11-22)18(24)15-7-13-26-14-8-15/h3,5-6,15H,4,7-14H2,1-2H3
InChIKeyFHKUUHQXKFJUAI-UHFFFAOYSA-N
XLogP1.25
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone
CID 72907622
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
6-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 122053696
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 138386426
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 138384199

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide (CID 138385690) is N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is CN(C)C(=O)c1cccc(N2CCCN(C(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
The InChIKey is FHKUUHQXKFJUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21(2)19(25)16-5-3-6-17(20-16)22-9-4-10-23(12-11-22)18(24)15-7-13-26-14-8-15/h3,5-6,15H,4,7-14H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide?
N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 138385690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).