N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide

C15H25N3O2 — CID 56808777

IUPACN-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc(=O)[nH]c1)N(C)C
InChIInChI=1S/C15H25N3O2/c1-5-11(6-2)13(18(3)4)10-17-15(20)12-7-8-14(19)16-9-12/h7-9,11,13H,5-6,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyFOMFCZUNOLXYRW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56808777) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56808777
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc(=O)[nH]c1)N(C)C
InChIInChI=1S/C15H25N3O2/c1-5-11(6-2)13(18(3)4)10-17-15(20)12-7-8-14(19)16-9-12/h7-9,11,13H,5-6,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyFOMFCZUNOLXYRW-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56808777) is N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide is CCC(CC)C(CNC(=O)c1ccc(=O)[nH]c1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FOMFCZUNOLXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-11(6-2)13(18(3)4)10-17-15(20)12-7-8-14(19)16-9-12/h7-9,11,13H,5-6,10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56808777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).