N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide

C18H27N3O3 — CID 46991930

IUPACN'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3/c1-12-10-13(2)20-18(24-3)15(12)11-19-16(22)8-9-17(23)21-14-6-4-5-7-14/h10,14H,4-9,11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyXYEDDOAVTFJYSP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.16
Rot. Bonds7

About N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide

N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide (PubChem CID 46991930) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
PubChem CID46991930
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3/c1-12-10-13(2)20-18(24-3)15(12)11-19-16(22)8-9-17(23)21-14-6-4-5-7-14/h10,14H,4-9,11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyXYEDDOAVTFJYSP-UHFFFAOYSA-N
XLogP2.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 97120000
N'-cyclopentyl-N-[(2,3,5,6-tetrafluorophenyl)methyl]butanediamide
CID 75432991
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea
CID 136584209
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
CID 46989113
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
N'-cyclopentyl-N-[(5-methyl-2H-indazol-3-yl)methyl]butanediamide
CID 118764069
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 70716419
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
N-cycloheptyl-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 6458077
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide?
The IUPAC name of N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide (CID 46991930) is N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide?
The canonical SMILES for N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide is COc1nc(C)cc(C)c1CNC(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide?
The InChIKey is XYEDDOAVTFJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12-10-13(2)20-18(24-3)15(12)11-19-16(22)8-9-17(23)21-14-6-4-5-7-14/h10,14H,4-9,11H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide?
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide has a molecular weight of 333.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide is sourced from PubChem (CID 46991930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).