N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide

C18H19F3N4O3 — CID 118005673

IUPACN-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(C)n1
InChIInChI=1S/C18H19F3N4O3/c1-11-9-13(10-16(23-11)24-12(2)26)7-8-22-17(27)25-14-3-5-15(6-4-14)28-18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25,27)(H,23,24,26)
InChIKeyWMPOOISATZFCBR-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.61
Rot. Bonds6

About N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide

N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide (PubChem CID 118005673) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide
PubChem CID118005673
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC NameN-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(C)n1
InChIInChI=1S/C18H19F3N4O3/c1-11-9-13(10-16(23-11)24-12(2)26)7-8-22-17(27)25-14-3-5-15(6-4-14)28-18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25,27)(H,23,24,26)
InChIKeyWMPOOISATZFCBR-UHFFFAOYSA-N
XLogP3.61
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134284785
1-pent-3-ynyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 115976976
1-[(E)-pent-3-enyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115629281
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane
CID 157489209
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 121137397
N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
CID 87000141
2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 137368022

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide (CID 118005673) is N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(C)n1.
What is the InChIKey of N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide?
The InChIKey is WMPOOISATZFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-11-9-13(10-16(23-11)24-12(2)26)7-8-22-17(27)25-14-3-5-15(6-4-14)28-18(19,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25,27)(H,23,24,26).
What are the key properties of N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide?
N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-4-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118005673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).