N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide

C20H28N4O3 — CID 146979949

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide
SMILESCCN(CCN(C)C)C(=O)CCCc1cc(C(=O)Cc2ncco2)ccn1
InChIInChI=1S/C20H28N4O3/c1-4-24(12-11-23(2)3)20(26)7-5-6-17-14-16(8-9-21-17)18(25)15-19-22-10-13-27-19/h8-10,13-14H,4-7,11-12,15H2,1-3H3
InChIKeyAOCQLWZKGXUCNP-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.23
Rot. Bonds11

About N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide

N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide (PubChem CID 146979949) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide
PubChem CID146979949
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide
SMILESCCN(CCN(C)C)C(=O)CCCc1cc(C(=O)Cc2ncco2)ccn1
InChIInChI=1S/C20H28N4O3/c1-4-24(12-11-23(2)3)20(26)7-5-6-17-14-16(8-9-21-17)18(25)15-19-22-10-13-27-19/h8-10,13-14H,4-7,11-12,15H2,1-3H3
InChIKeyAOCQLWZKGXUCNP-UHFFFAOYSA-N
XLogP2.23
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-3-carbaldehyde
CID 76332656
2-amino-3,6-dimethyl-6-[4-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
CID 58449243
3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide
CID 68800513
3-[2-[(4-Fluorophenyl)methyl]-1,3-oxazol-5-yl]-1-pyridin-2-ylpropane-1,2-dione
CID 69138921
1-[3-(4-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-(1,3-oxazol-2-yl)butan-2-one
CID 147239478
1-[2-Methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone
CID 159764817
Tert-butyl 4-[[5-[2-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-oxoethyl]-2-pyridinyl]methyl]piperazine-1-carboxylate
CID 160899474
1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine
CID 174014070
[2-[5-[(3-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110110107
[2-[5-[(2-Fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110116
[2-[5-[(3-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110110227
[3-[5-[(3-Fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110230

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide (CID 146979949) is N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide is CCN(CCN(C)C)C(=O)CCCc1cc(C(=O)Cc2ncco2)ccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide?
The InChIKey is AOCQLWZKGXUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-24(12-11-23(2)3)20(26)7-5-6-17-14-16(8-9-21-17)18(25)15-19-22-10-13-27-19/h8-10,13-14H,4-7,11-12,15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide has a molecular weight of 372.47 g/mol, XLogP of 2.23, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[2-(1,3-oxazol-2-yl)acetyl]-2-pyridinyl]butanamide is sourced from PubChem (CID 146979949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).