4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide

C15H25N3O — CID 119063054

IUPAC4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
SMILESCc1cnccc1NCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-12-11-16-8-6-13(12)17-9-10-18-14(19)5-7-15(2,3)4/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYOQQKRALCRIJQP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds6

About 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide

4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide (PubChem CID 119063054) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
PubChem CID119063054
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
SMILESCc1cnccc1NCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C15H25N3O/c1-12-11-16-8-6-13(12)17-9-10-18-14(19)5-7-15(2,3)4/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyYOQQKRALCRIJQP-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide (CID 119063054) is 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide is Cc1cnccc1NCCNC(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide?
The InChIKey is YOQQKRALCRIJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-11-16-8-6-13(12)17-9-10-18-14(19)5-7-15(2,3)4/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide?
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide is sourced from PubChem (CID 119063054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).