N-(5-chloro-2-pyridinyl)-2-methylpentanamide

C11H15ClN2O — CID 2889757

IUPACN-(5-chloro-2-pyridinyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O/c1-3-4-8(2)11(15)14-10-6-5-9(12)7-13-10/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyMTIWLQRIJYZNBV-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.11
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-methylpentanamide

N-(5-chloro-2-pyridinyl)-2-methylpentanamide (PubChem CID 2889757) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-methylpentanamide
PubChem CID2889757
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(5-chloro-2-pyridinyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O/c1-3-4-8(2)11(15)14-10-6-5-9(12)7-13-10/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyMTIWLQRIJYZNBV-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-methylpentanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-methylpentanamide (CID 2889757) is N-(5-chloro-2-pyridinyl)-2-methylpentanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-methylpentanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-methylpentanamide?
The InChIKey is MTIWLQRIJYZNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-4-8(2)11(15)14-10-6-5-9(12)7-13-10/h5-8H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-methylpentanamide?
N-(5-chloro-2-pyridinyl)-2-methylpentanamide has a molecular weight of 226.71 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-methylpentanamide is sourced from PubChem (CID 2889757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).