N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide

C19H16ClF3N6O — CID 154933636

IUPACN-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide
SMILESC/N=C(\Nc1cnn(C)c1)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C19H16ClF3N6O/c1-24-17(26-12-9-25-28(2)10-12)13-7-8-16(19(21,22)23)27-18(13)29(11-30)15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,24,26)
InChIKeyGFBRWNLVZCBXIS-UHFFFAOYSA-N
MW436.83 g/mol
LogP4.27
Rot. Bonds5

About N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide

N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide (PubChem CID 154933636) has the molecular formula C19H16ClF3N6O and a molecular weight of 436.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide
PubChem CID154933636
Molecular FormulaC19H16ClF3N6O
Molecular Weight436.83 g/mol
Exact Mass436.10
IUPAC NameN-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide
SMILESC/N=C(\Nc1cnn(C)c1)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C19H16ClF3N6O/c1-24-17(26-12-9-25-28(2)10-12)13-7-8-16(19(21,22)23)27-18(13)29(11-30)15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,24,26)
InChIKeyGFBRWNLVZCBXIS-UHFFFAOYSA-N
XLogP4.27
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?
The IUPAC name of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide (CID 154933636) is N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide is C/N=C(\Nc1cnn(C)c1)c1ccc(C(F)(F)F)nc1N(C=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?
The InChIKey is GFBRWNLVZCBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N6O/c1-24-17(26-12-9-25-28(2)10-12)13-7-8-16(19(21,22)23)27-18(13)29(11-30)15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide?
N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide has a molecular weight of 436.83 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[3-[N'-methyl-N-(1-methylpyrazol-4-yl)carbamimidoyl]-6-(trifluoromethyl)-2-pyridinyl]formamide is sourced from PubChem (CID 154933636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).