N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide

C24H27N5O2 — CID 42533133

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)nc1
InChIInChI=1S/C24H27N5O2/c1-3-17-8-10-19(25-14-17)16-29(2)24(30)13-12-23-28-27-22(31-23)11-9-18-15-26-21-7-5-4-6-20(18)21/h4-8,10,14-15,26H,3,9,11-13,16H2,1-2H3
InChIKeyDLCSTKGHABVGHH-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.88
Rot. Bonds9

About N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide

N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide (PubChem CID 42533133) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
PubChem CID42533133
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
SMILESCCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)nc1
InChIInChI=1S/C24H27N5O2/c1-3-17-8-10-19(25-14-17)16-29(2)24(30)13-12-23-28-27-22(31-23)11-9-18-15-26-21-7-5-4-6-20(18)21/h4-8,10,14-15,26H,3,9,11-13,16H2,1-2H3
InChIKeyDLCSTKGHABVGHH-UHFFFAOYSA-N
XLogP3.88
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42564953
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 45218078
N-[(4-ethylphenyl)methyl]-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 25376239
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide
CID 42195341
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
4-(1H-indol-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 38304184
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
N-[(2-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 19454245
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide (CID 42533133) is N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide is CCc1ccc(CN(C)C(=O)CCc2nnc(CCc3c[nH]c4ccccc34)o2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The InChIKey is DLCSTKGHABVGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-17-8-10-19(25-14-17)16-29(2)24(30)13-12-23-28-27-22(31-23)11-9-18-15-26-21-7-5-4-6-20(18)21/h4-8,10,14-15,26H,3,9,11-13,16H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide has a molecular weight of 417.51 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 42533133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).