N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C15H25N3O2 — CID 14444317

IUPACN-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)9-7-8-16-15(20)14-12(4)17-11(3)10-13(14)19/h10H,5-9H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyUDHJREUPYYHCJI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.45
Rot. Bonds7

About N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 14444317) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID14444317
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)9-7-8-16-15(20)14-12(4)17-11(3)10-13(14)19/h10H,5-9H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyUDHJREUPYYHCJI-UHFFFAOYSA-N
XLogP1.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.45
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 N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 14444317) is N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is CCN(CC)CCCNC(=O)c1c(C)[nH]c(C)cc1=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UDHJREUPYYHCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18(6-2)9-7-8-16-15(20)14-12(4)17-11(3)10-13(14)19/h10H,5-9H2,1-4H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 14444317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).