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

C17H21F3N4O2 — CID 90375125

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide
SMILESCC1CC1/N=C/c1ccnc(CN(CC(=O)N(C)C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C17H21F3N4O2/c1-11-6-14(11)22-8-12-4-5-21-13(7-12)9-24(10-15(25)23(2)3)16(26)17(18,19)20/h4-5,7-8,11,14H,6,9-10H2,1-3H3/b22-8+
InChIKeyPOVIQYQAKZEYFP-GZIVZEMBSA-N
MW370.38 g/mol
LogP1.89
Rot. Bonds6

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

N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide (PubChem CID 90375125) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide
PubChem CID90375125
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide
SMILESCC1CC1/N=C/c1ccnc(CN(CC(=O)N(C)C)C(=O)C(F)(F)F)c1
InChIInChI=1S/C17H21F3N4O2/c1-11-6-14(11)22-8-12-4-5-21-13(7-12)9-24(10-15(25)23(2)3)16(26)17(18,19)20/h4-5,7-8,11,14H,6,9-10H2,1-3H3/b22-8+
InChIKeyPOVIQYQAKZEYFP-GZIVZEMBSA-N
XLogP1.89
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide (CID 90375125) is N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide is CC1CC1/N=C/c1ccnc(CN(CC(=O)N(C)C)C(=O)C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide?
The InChIKey is POVIQYQAKZEYFP-GZIVZEMBSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-11-6-14(11)22-8-12-4-5-21-13(7-12)9-24(10-15(25)23(2)3)16(26)17(18,19)20/h4-5,7-8,11,14H,6,9-10H2,1-3H3/b22-8+.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,2,2-trifluoro-N-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide has a molecular weight of 370.38 g/mol, XLogP of 1.89, 6 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-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 90375125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).