N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide

C13H14F3N3O3 — CID 90375035

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide
SMILESCN(C)C(=O)CN(Cc1cc(C=O)ccn1)C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-18(2)11(21)7-19(12(22)13(14,15)16)6-10-5-9(8-20)3-4-17-10/h3-5,8H,6-7H2,1-2H3
InChIKeyUMJUPEYUDRCOJC-UHFFFAOYSA-N
MW317.27 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide

N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide (PubChem CID 90375035) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide
PubChem CID90375035
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide
SMILESCN(C)C(=O)CN(Cc1cc(C=O)ccn1)C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-18(2)11(21)7-19(12(22)13(14,15)16)6-10-5-9(8-20)3-4-17-10/h3-5,8H,6-7H2,1-2H3
InChIKeyUMJUPEYUDRCOJC-UHFFFAOYSA-N
XLogP0.87
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N2,N4-Bis(2-methoxyethyl)-2,4-pyridinedicarboxamide
CID 60788
Bupicomide
CID 31447
Kdoam-25
CID 91810435
Safironil
CID 65973
N,N-Diethylisonicotinamide
CID 10735
2-Ethylisonicotinamide
CID 76905
Kdoam-28
CID 126961672
Kdoam-29
CID 126961673
Pyridin-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2604307
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 9439521
4-Carbamoyl-1-diallylcarbamoylmethyl-pyridinium
CID 16681886
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 18079771

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide (CID 90375035) is N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide is CN(C)C(=O)CN(Cc1cc(C=O)ccn1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide?
The InChIKey is UMJUPEYUDRCOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-18(2)11(21)7-19(12(22)13(14,15)16)6-10-5-9(8-20)3-4-17-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide has a molecular weight of 317.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[(4-formyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 90375035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).