N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide

C13H18ClN3O — CID 113286068

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cnc(Cl)cc2C)CCNC1
InChIInChI=1S/C13H18ClN3O/c1-3-13(4-5-15-8-13)12(18)17-10-7-16-11(14)6-9(10)2/h6-7,15H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyWSHWMNNZYVUNCS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.37
Rot. Bonds3

About N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide

N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 113286068) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID113286068
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cnc(Cl)cc2C)CCNC1
InChIInChI=1S/C13H18ClN3O/c1-3-13(4-5-15-8-13)12(18)17-10-7-16-11(14)6-9(10)2/h6-7,15H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyWSHWMNNZYVUNCS-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide (CID 113286068) is N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cnc(Cl)cc2C)CCNC1.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is WSHWMNNZYVUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-13(4-5-15-8-13)12(18)17-10-7-16-11(14)6-9(10)2/h6-7,15H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide?
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113286068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).