N-(5-chloro-2-pyridinyl)-3-methylbutanamide

C10H13ClN2O — CID 669848

IUPACN-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2O/c1-7(2)5-10(14)13-9-4-3-8(11)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,12,13,14)
InChIKeyGUPVRROTWVLOQT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.72
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-3-methylbutanamide

N-(5-chloro-2-pyridinyl)-3-methylbutanamide (PubChem CID 669848) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-methylbutanamide
PubChem CID669848
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2O/c1-7(2)5-10(14)13-9-4-3-8(11)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,12,13,14)
InChIKeyGUPVRROTWVLOQT-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-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-methylbutanamide (CID 669848) is N-(5-chloro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is GUPVRROTWVLOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(2)5-10(14)13-9-4-3-8(11)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,12,13,14).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
N-(5-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-(5-chloro-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 669848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).