N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide

C9H10Cl2N2O — CID 69277487

IUPACN-[(3,5-dichloro-4-pyridinyl)methyl]propanamide
SMILESCCC(=O)NCc1c(Cl)cncc1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-2-9(14)13-3-6-7(10)4-12-5-8(6)11/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyAAQWRRLIQHPYNL-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.41
Rot. Bonds3

About N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide

N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide (PubChem CID 69277487) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyridinyl)methyl]propanamide
PubChem CID69277487
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC NameN-[(3,5-dichloro-4-pyridinyl)methyl]propanamide
SMILESCCC(=O)NCc1c(Cl)cncc1Cl
InChIInChI=1S/C9H10Cl2N2O/c1-2-9(14)13-3-6-7(10)4-12-5-8(6)11/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyAAQWRRLIQHPYNL-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide?
The IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide (CID 69277487) is N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide?
The canonical SMILES for N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide is CCC(=O)NCc1c(Cl)cncc1Cl.
What is the InChIKey of N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide?
The InChIKey is AAQWRRLIQHPYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-2-9(14)13-3-6-7(10)4-12-5-8(6)11/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide?
N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide has a molecular weight of 233.10 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 69277487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).