N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide

C21H27N3O3 — CID 113014933

IUPACN-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C21H27N3O3/c1-26-18-10-6-7-11-19(18)27-15-21(25)24-17-12-13-20(22-14-17)23-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9,15H2,1H3,(H,22,23)(H,24,25)
InChIKeyZABMNSRSZONTRF-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.24
Rot. Bonds7

About N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide

N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113014933) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113014933
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C21H27N3O3/c1-26-18-10-6-7-11-19(18)27-15-21(25)24-17-12-13-20(22-14-17)23-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9,15H2,1H3,(H,22,23)(H,24,25)
InChIKeyZABMNSRSZONTRF-UHFFFAOYSA-N
XLogP4.24
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(cyclohexylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113010088
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113010076
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
2-(4-chlorophenoxy)-N-[6-(cyclohexylamino)-3-pyridinyl]acetamide
CID 113010077
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
2-(2-methoxyphenoxy)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009626
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4627504
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113017092
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide (CID 113014933) is N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(NC2CCCCCC2)nc1.
What is the InChIKey of N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is ZABMNSRSZONTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-10-6-7-11-19(18)27-15-21(25)24-17-12-13-20(22-14-17)23-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9,15H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide?
N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113014933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).