[1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid

C16H15F3N4O3 — CID 70979155

IUPAC[1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)Nc1ccc(C(F)(F)F)nc1Nc1ccccc1
InChIInChI=1S/C16H15F3N4O3/c1-9(20-15(25)26)14(24)22-11-7-8-12(16(17,18)19)23-13(11)21-10-5-3-2-4-6-10/h2-9,20H,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeySTXKWCWVINEKRO-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.44
Rot. Bonds5

About [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid

[1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 70979155) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID70979155
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC Name[1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)Nc1ccc(C(F)(F)F)nc1Nc1ccccc1
InChIInChI=1S/C16H15F3N4O3/c1-9(20-15(25)26)14(24)22-11-7-8-12(16(17,18)19)23-13(11)21-10-5-3-2-4-6-10/h2-9,20H,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeySTXKWCWVINEKRO-UHFFFAOYSA-N
XLogP3.44
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
N-[(5S)-5-acetamido-6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-6-oxohexyl]prop-2-enamide
CID 71462878
N-[3-(aminomethyl)phenyl]-2-[5-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-chloro-2-methyl-6-oxopyrazin-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 44394235
(2S)-2-[(2-anilino-6-methylpyrimidin-4-yl)amino]-4-methyl-N-phenylpentanamide;2,2,2-trifluoroacetic acid
CID 44527762
3-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]-N-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 44527801
N-[(5S)-5-[(4-fluorophenyl)carbamoylamino]-6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-6-oxohexyl]prop-2-enamide
CID 145970218
(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
CID 70979938
(2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
CID 70980223
(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
CID 70980437
4-[(6-methylpyridin-2-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
CID 2962126
(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
CID 70980168
(2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
CID 70982189

Frequently Asked Questions

What is the IUPAC name of [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid (CID 70979155) is [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)Nc1ccc(C(F)(F)F)nc1Nc1ccccc1.
What is the InChIKey of [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is STXKWCWVINEKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c1-9(20-15(25)26)14(24)22-11-7-8-12(16(17,18)19)23-13(11)21-10-5-3-2-4-6-10/h2-9,20H,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid?
[1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 368.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-anilino-6-(trifluoromethyl)-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 70979155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).