6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide

C21H30N4O3 — CID 123635327

IUPAC6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(COC2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)nc1
InChIInChI=1S/C21H30N4O3/c22-20(26)15-5-6-17(23-13-15)14-28-19-11-16(12-19)21(27)25-8-2-7-24(9-10-25)18-3-1-4-18/h5-6,13,16,18-19H,1-4,7-12,14H2,(H2,22,26)
InChIKeyCDEIZDRYXXVHMF-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.56
Rot. Bonds6

About 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide

6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide (PubChem CID 123635327) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide
PubChem CID123635327
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(COC2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)nc1
InChIInChI=1S/C21H30N4O3/c22-20(26)15-5-6-17(23-13-15)14-28-19-11-16(12-19)21(27)25-8-2-7-24(9-10-25)18-3-1-4-18/h5-6,13,16,18-19H,1-4,7-12,14H2,(H2,22,26)
InChIKeyCDEIZDRYXXVHMF-UHFFFAOYSA-N
XLogP1.56
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
CID 123148142
3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
CID 123742636
[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 70221560
[5-[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-1-carbonyl]-2-pyridinyl] acetate
CID 175270953
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
CID 71523156
4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
CID 71866711
methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 106940607
(2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-[(4-fluorophenyl)methoxy]pyrrolidine-1-carboxylic acid
CID 69001026
3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 136515729
6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
azetidin-3-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;(4-cyclobutyl-1,4-diazepan-1-yl)-[1-(2-methylpyrimidine-5-carbonyl)azetidin-3-yl]methanone;2-methylpyrimidine-5-carboxylic acid
CID 159024872
(3R)-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 97150223

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide (CID 123635327) is 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide is NC(=O)c1ccc(COC2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)nc1.
What is the InChIKey of 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is CDEIZDRYXXVHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c22-20(26)15-5-6-17(23-13-15)14-28-19-11-16(12-19)21(27)25-8-2-7-24(9-10-25)18-3-1-4-18/h5-6,13,16,18-19H,1-4,7-12,14H2,(H2,22,26).
What are the key properties of 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide?
6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 123635327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).