N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide

C22H27N3O3 — CID 55659721

IUPACN-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2cccnc2OC2CCCC2)c1
InChIInChI=1S/C22H27N3O3/c1-15-10-16(2)12-18(11-15)21(27)25-14-20(26)24-13-17-6-5-9-23-22(17)28-19-7-3-4-8-19/h5-6,9-12,19H,3-4,7-8,13-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWBKSBMUXGYLMBL-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.07
Rot. Bonds7

About N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 55659721) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID55659721
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCc2cccnc2OC2CCCC2)c1
InChIInChI=1S/C22H27N3O3/c1-15-10-16(2)12-18(11-15)21(27)25-14-20(26)24-13-17-6-5-9-23-22(17)28-19-7-3-4-8-19/h5-6,9-12,19H,3-4,7-8,13-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWBKSBMUXGYLMBL-UHFFFAOYSA-N
XLogP3.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55790751
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
[3-[[(3,5-dimethylbenzoyl)amino]methyl]-2-pyridinyl] acetate
CID 12847830
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55659982
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044376
ethyl 4-[N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162645

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 55659721) is N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NCc2cccnc2OC2CCCC2)c1.
What is the InChIKey of N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is WBKSBMUXGYLMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-10-16(2)12-18(11-15)21(27)25-14-20(26)24-13-17-6-5-9-23-22(17)28-19-7-3-4-8-19/h5-6,9-12,19H,3-4,7-8,13-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 55659721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).