N-(3-chloro-2-pyridinyl)-3-methylbutanamide

C10H13ClN2O — CID 903859

IUPACN-(3-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7(2)6-9(14)13-10-8(11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyVYJPRYBWHMQNDL-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.72
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-3-methylbutanamide

N-(3-chloro-2-pyridinyl)-3-methylbutanamide (PubChem CID 903859) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-methylbutanamide
PubChem CID903859
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(3-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7(2)6-9(14)13-10-8(11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyVYJPRYBWHMQNDL-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-methylbutanamide (CID 903859) is N-(3-chloro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is VYJPRYBWHMQNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(2)6-9(14)13-10-8(11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-methylbutanamide?
N-(3-chloro-2-pyridinyl)-3-methylbutanamide has a molecular weight of 212.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 903859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).