azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone

C21H27N3O2 — CID 109162030

IUPACazepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-19-10-6-5-9-18(19)23-20-12-11-17(15-22-20)21(25)24-13-7-3-4-8-14-24/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,22,23)
InChIKeyOVIOUNQIHWBOMF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.63
Rot. Bonds5

About azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone

azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone (PubChem CID 109162030) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
PubChem CID109162030
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Nameazepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-19-10-6-5-9-18(19)23-20-12-11-17(15-22-20)21(25)24-13-7-3-4-8-14-24/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,22,23)
InChIKeyOVIOUNQIHWBOMF-UHFFFAOYSA-N
XLogP4.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498
[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1447856
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805
5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
4-[2-(2-propan-2-yloxyanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254405
4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168877
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
N-[2-(piperidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55686867
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone (CID 109162030) is azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone is CC(C)Oc1ccccc1Nc1ccc(C(=O)N2CCCCCC2)cn1.
What is the InChIKey of azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone?
The InChIKey is OVIOUNQIHWBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)26-19-10-6-5-9-18(19)23-20-12-11-17(15-22-20)21(25)24-13-7-3-4-8-14-24/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,22,23).
What are the key properties of azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone?
azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone has a molecular weight of 353.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109162030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).