N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H23N5O3 — CID 36604713

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C21H23N5O3/c27-18(10-11-19-25-20(26-29-19)17-9-3-4-12-22-17)24-14-15-6-5-13-23-21(15)28-16-7-1-2-8-16/h3-6,9,12-13,16H,1-2,7-8,10-11,14H2,(H,24,27)
InChIKeyGRTUCTBVMBVDEG-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.10
Rot. Bonds8

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 36604713) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID36604713
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C21H23N5O3/c27-18(10-11-19-25-20(26-29-19)17-9-3-4-12-22-17)24-14-15-6-5-13-23-21(15)28-16-7-1-2-8-16/h3-6,9,12-13,16H,1-2,7-8,10-11,14H2,(H,24,27)
InChIKeyGRTUCTBVMBVDEG-UHFFFAOYSA-N
XLogP3.10
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55810269
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-[2-(2,6-difluorophenyl)ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006930
N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119591258
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78876600
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 38856002
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55659982

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 36604713) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccn2)no1)NCc1cccnc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GRTUCTBVMBVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-18(10-11-19-25-20(26-29-19)17-9-3-4-12-22-17)24-14-15-6-5-13-23-21(15)28-16-7-1-2-8-16/h3-6,9,12-13,16H,1-2,7-8,10-11,14H2,(H,24,27).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 393.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 36604713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).