N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide

C22H28N2O4 — CID 60520618

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC3CCCC3)nc2)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-3-26-19-11-10-17(13-20(19)27-4-2)22(25)24-15-16-9-12-21(23-14-16)28-18-7-5-6-8-18/h9-14,18H,3-8,15H2,1-2H3,(H,24,25)
InChIKeyKJWKQNMZTXJMKZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.13
Rot. Bonds9

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide (PubChem CID 60520618) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
PubChem CID60520618
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC3CCCC3)nc2)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-3-26-19-11-10-17(13-20(19)27-4-2)22(25)24-15-16-9-12-21(23-14-16)28-18-7-5-6-8-18/h9-14,18H,3-8,15H2,1-2H3,(H,24,25)
InChIKeyKJWKQNMZTXJMKZ-UHFFFAOYSA-N
XLogP4.13
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 78890683
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111201134
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55801899
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47041805
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide (CID 60520618) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCc2ccc(OC3CCCC3)nc2)cc1OCC.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide?
The InChIKey is KJWKQNMZTXJMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-26-19-11-10-17(13-20(19)27-4-2)22(25)24-15-16-9-12-21(23-14-16)28-18-7-5-6-8-18/h9-14,18H,3-8,15H2,1-2H3,(H,24,25).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 60520618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).