N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide

C13H14Cl2N4O — CID 39891150

IUPACN-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1c(CCC(=O)Nc2ncc(Cl)cc2Cl)cnn1C
InChIInChI=1S/C13H14Cl2N4O/c1-8-9(6-17-19(8)2)3-4-12(20)18-13-11(15)5-10(14)7-16-13/h5-7H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyYNYKJKNOCOXMJV-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.00
Rot. Bonds4

About N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide

N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide (PubChem CID 39891150) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide
PubChem CID39891150
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1c(CCC(=O)Nc2ncc(Cl)cc2Cl)cnn1C
InChIInChI=1S/C13H14Cl2N4O/c1-8-9(6-17-19(8)2)3-4-12(20)18-13-11(15)5-10(14)7-16-13/h5-7H,3-4H2,1-2H3,(H,16,18,20)
InChIKeyYNYKJKNOCOXMJV-UHFFFAOYSA-N
XLogP3.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide (CID 39891150) is N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide is Cc1c(CCC(=O)Nc2ncc(Cl)cc2Cl)cnn1C.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide?
The InChIKey is YNYKJKNOCOXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-8-9(6-17-19(8)2)3-4-12(20)18-13-11(15)5-10(14)7-16-13/h5-7H,3-4H2,1-2H3,(H,16,18,20).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide?
N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide has a molecular weight of 313.19 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 39891150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).