N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide

C16H27N3O2 — CID 77097796

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1=O
InChIInChI=1S/C16H27N3O2/c1-6-18-9-7-14(11-15(18)20)16(21)17-8-10-19(12(2)3)13(4)5/h7,9,11-13H,6,8,10H2,1-5H3,(H,17,21)
InChIKeyRWMGGQCEKXURFC-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide (PubChem CID 77097796) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide
PubChem CID77097796
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1=O
InChIInChI=1S/C16H27N3O2/c1-6-18-9-7-14(11-15(18)20)16(21)17-8-10-19(12(2)3)13(4)5/h7,9,11-13H,6,8,10H2,1-5H3,(H,17,21)
InChIKeyRWMGGQCEKXURFC-UHFFFAOYSA-N
XLogP1.72
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxopyridine-4-carboxamide
CID 118772769
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-[2-[di(propan-2-yl)amino]ethyl]-3,4-dipentoxybenzamide
CID 44758079
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide (CID 77097796) is N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide is CCn1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1=O.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The InChIKey is RWMGGQCEKXURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-18-9-7-14(11-15(18)20)16(21)17-8-10-19(12(2)3)13(4)5/h7,9,11-13H,6,8,10H2,1-5H3,(H,17,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 77097796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).