N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide

C19H21F3N4O2 — CID 154794465

IUPACN,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide
SMILESCN(C)C(=O)CC(NC(=O)NCc1cccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C19H21F3N4O2/c1-26(2)17(27)11-15(13-7-4-3-5-8-13)25-18(28)23-12-14-9-6-10-16(24-14)19(20,21)22/h3-10,15H,11-12H2,1-2H3,(H2,23,25,28)
InChIKeyYFABEVYWOXACQG-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.12
Rot. Bonds6

About N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide

N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide (PubChem CID 154794465) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide
PubChem CID154794465
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide
SMILESCN(C)C(=O)CC(NC(=O)NCc1cccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C19H21F3N4O2/c1-26(2)17(27)11-15(13-7-4-3-5-8-13)25-18(28)23-12-14-9-6-10-16(24-14)19(20,21)22/h3-10,15H,11-12H2,1-2H3,(H2,23,25,28)
InChIKeyYFABEVYWOXACQG-UHFFFAOYSA-N
XLogP3.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-dimethyl-3-phenyl-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 94665026
2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]propanamide
CID 123230614
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide
CID 166235083
1-[2-[2-(trifluoromethyl)phenyl]ethyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 166236084
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide (CID 154794465) is N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide is CN(C)C(=O)CC(NC(=O)NCc1cccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide?
The InChIKey is YFABEVYWOXACQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-26(2)17(27)11-15(13-7-4-3-5-8-13)25-18(28)23-12-14-9-6-10-16(24-14)19(20,21)22/h3-10,15H,11-12H2,1-2H3,(H2,23,25,28).
What are the key properties of N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide?
N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide has a molecular weight of 394.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoylamino]propanamide is sourced from PubChem (CID 154794465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).