N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide

C16H21N5O2 — CID 123737871

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ncccc2N2CCCC2)no1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(20-23-11)16(2,3)19-14(22)13-12(7-6-8-17-13)21-9-4-5-10-21/h6-8H,4-5,9-10H2,1-3H3,(H,19,22)
InChIKeyOHEJGEBJDUCARO-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.04
Rot. Bonds4

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 123737871) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID123737871
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ncccc2N2CCCC2)no1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(20-23-11)16(2,3)19-14(22)13-12(7-6-8-17-13)21-9-4-5-10-21/h6-8H,4-5,9-10H2,1-3H3,(H,19,22)
InChIKeyOHEJGEBJDUCARO-UHFFFAOYSA-N
XLogP2.04
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide (CID 123737871) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide is Cc1nc(C(C)(C)NC(=O)c2ncccc2N2CCCC2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is OHEJGEBJDUCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-18-15(20-23-11)16(2,3)19-14(22)13-12(7-6-8-17-13)21-9-4-5-10-21/h6-8H,4-5,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 123737871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).