azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone

C20H25N3O2 — CID 109212072

IUPACazepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
SMILESCOc1ccccc1CNc1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-9-5-4-8-16(19)15-22-17-10-11-21-18(14-17)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,21,22)
InChIKeyDTCWGGAYJGQOAD-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.72
Rot. Bonds5

About azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone

azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone (PubChem CID 109212072) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
PubChem CID109212072
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Nameazepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
SMILESCOc1ccccc1CNc1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-9-5-4-8-16(19)15-22-17-10-11-21-18(14-17)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,21,22)
InChIKeyDTCWGGAYJGQOAD-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
N,N-diethyl-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212060
3,4-dihydro-1H-isoquinolin-2-yl-[4-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109213749
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
N-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212111
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone (CID 109212072) is azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone is COc1ccccc1CNc1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone?
The InChIKey is DTCWGGAYJGQOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-9-5-4-8-16(19)15-22-17-10-11-21-18(14-17)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,21,22).
What are the key properties of azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone?
azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109212072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).