N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide

C18H20F3N5O — CID 134481211

IUPACN-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide
SMILESCNc1ccc(/C(=N\C(C)C)c2nc(C(F)(F)F)ccc2N)cc1NC=O
InChIInChI=1S/C18H20F3N5O/c1-10(2)25-16(11-4-6-13(23-3)14(8-11)24-9-27)17-12(22)5-7-15(26-17)18(19,20)21/h4-10,23H,22H2,1-3H3,(H,24,27)/b25-16+
InChIKeyTXHAWLLNYLWPPF-PCLIKHOPSA-N
MW379.39 g/mol
LogP3.54
Rot. Bonds6

About N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide

N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide (PubChem CID 134481211) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide
PubChem CID134481211
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC NameN-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide
SMILESCNc1ccc(/C(=N\C(C)C)c2nc(C(F)(F)F)ccc2N)cc1NC=O
InChIInChI=1S/C18H20F3N5O/c1-10(2)25-16(11-4-6-13(23-3)14(8-11)24-9-27)17-12(22)5-7-15(26-17)18(19,20)21/h4-10,23H,22H2,1-3H3,(H,24,27)/b25-16+
InChIKeyTXHAWLLNYLWPPF-PCLIKHOPSA-N
XLogP3.54
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
1-[3-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;ethane
CID 171838290
N-[4-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylsulfanylphenyl]formamide
CID 166654586
8-amino-5-formamidonaphthalene-2-sulfonic acid
CID 144827054
2-ethoxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine
CID 67439113
methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166454638
acetonitrile;2-butoxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine
CID 174729995
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 129348770
[3-amino-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 53414335

Frequently Asked Questions

What is the IUPAC name of N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide?
The IUPAC name of N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide (CID 134481211) is N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide.
What is the SMILES notation for N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide?
The canonical SMILES for N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide is CNc1ccc(/C(=N\C(C)C)c2nc(C(F)(F)F)ccc2N)cc1NC=O.
What is the InChIKey of N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide?
The InChIKey is TXHAWLLNYLWPPF-PCLIKHOPSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-10(2)25-16(11-4-6-13(23-3)14(8-11)24-9-27)17-12(22)5-7-15(26-17)18(19,20)21/h4-10,23H,22H2,1-3H3,(H,24,27)/b25-16+.
What are the key properties of N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide?
N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide has a molecular weight of 379.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[C-[3-amino-6-(trifluoromethyl)-2-pyridinyl]-N-propan-2-ylcarbonimidoyl]-2-(methylamino)phenyl]formamide is sourced from PubChem (CID 134481211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).