5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

C14H17ClN4O2 — CID 56865070

IUPAC5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)c2ccc(Cl)cn2)no1
InChIInChI=1S/C14H17ClN4O2/c1-9(2)13-17-12(18-21-13)6-7-19(3)14(20)11-5-4-10(15)8-16-11/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHRBXUPYISQWMGR-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 56865070) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID56865070
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)c2ccc(Cl)cn2)no1
InChIInChI=1S/C14H17ClN4O2/c1-9(2)13-17-12(18-21-13)6-7-19(3)14(20)11-5-4-10(15)8-16-11/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHRBXUPYISQWMGR-UHFFFAOYSA-N
XLogP2.56
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91840785
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
(2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 154901668
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 119069461
N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
CID 46982276
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid
CID 79794069
5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 50967806
4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91762262
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 119066636
(2R)-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 126438337
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (CID 56865070) is 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is CC(C)c1nc(CCN(C)C(=O)c2ccc(Cl)cn2)no1.
What is the InChIKey of 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is HRBXUPYISQWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(2)13-17-12(18-21-13)6-7-19(3)14(20)11-5-4-10(15)8-16-11/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 56865070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).