2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H24FN5O — CID 70328060

IUPAC2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(C)(C)CN(CC(=O)NCCc1ccc(F)cc1)c1ccnc(C#N)n1
InChIInChI=1S/C20H24FN5O/c1-20(2,3)14-26(18-9-11-23-17(12-22)25-18)13-19(27)24-10-8-15-4-6-16(21)7-5-15/h4-7,9,11H,8,10,13-14H2,1-3H3,(H,24,27)
InChIKeyNDGMFNVVESMNAY-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.70
Rot. Bonds7

About 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 70328060) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID70328060
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(C)(C)CN(CC(=O)NCCc1ccc(F)cc1)c1ccnc(C#N)n1
InChIInChI=1S/C20H24FN5O/c1-20(2,3)14-26(18-9-11-23-17(12-22)25-18)13-19(27)24-10-8-15-4-6-16(21)7-5-15/h4-7,9,11H,8,10,13-14H2,1-3H3,(H,24,27)
InChIKeyNDGMFNVVESMNAY-UHFFFAOYSA-N
XLogP2.70
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide
CID 11587914
2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113166097
N'-(2-cyanopyrimidin-4-yl)-N'-(3,3-dimethylbutyl)-4-fluorobenzohydrazide
CID 70328072
4-[2,2-dimethylpropyl-[[4-[3-(4-oxopiperidin-1-yl)propyl]phenyl]methyl]amino]pyrimidine-2-carbonitrile
CID 10342037
N-[5-[(2-cyanopyrimidin-4-yl)-[(4-fluorobenzoyl)amino]amino]-4,4-dimethylpentyl]acetamide
CID 70327516
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
CID 25219956

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 70328060) is 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(C)(C)CN(CC(=O)NCCc1ccc(F)cc1)c1ccnc(C#N)n1.
What is the InChIKey of 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NDGMFNVVESMNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-20(2,3)14-26(18-9-11-23-17(12-22)25-18)13-19(27)24-10-8-15-4-6-16(21)7-5-15/h4-7,9,11H,8,10,13-14H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 70328060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).