(3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide

C14H20Cl2N2O — CID 95246520

IUPAC(3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide
SMILESC[C@H](CC(=O)Nc1ncc(Cl)cc1Cl)CC(C)(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-9(7-14(2,3)4)5-12(19)18-13-11(16)6-10(15)8-17-13/h6,8-9H,5,7H2,1-4H3,(H,17,18,19)/t9-/m1/s1
InChIKeyCMKUAUWVZJEJDU-SECBINFHSA-N
MW303.23 g/mol
LogP4.79
Rot. Bonds4

About (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide

(3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide (PubChem CID 95246520) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide
PubChem CID95246520
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide
SMILESC[C@H](CC(=O)Nc1ncc(Cl)cc1Cl)CC(C)(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-9(7-14(2,3)4)5-12(19)18-13-11(16)6-10(15)8-17-13/h6,8-9H,5,7H2,1-4H3,(H,17,18,19)/t9-/m1/s1
InChIKeyCMKUAUWVZJEJDU-SECBINFHSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide?
The IUPAC name of (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide (CID 95246520) is (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide is C[C@H](CC(=O)Nc1ncc(Cl)cc1Cl)CC(C)(C)C.
What is the InChIKey of (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide?
The InChIKey is CMKUAUWVZJEJDU-SECBINFHSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9(7-14(2,3)4)5-12(19)18-13-11(16)6-10(15)8-17-13/h6,8-9H,5,7H2,1-4H3,(H,17,18,19)/t9-/m1/s1.
What are the key properties of (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide?
(3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide has a molecular weight of 303.23 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dichloro-2-pyridinyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 95246520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).