N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide

C17H13ClF3N7O — CID 19151977

IUPACN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccccn2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N7O/c18-11-5-4-9(7-10(11)17(19,20)21)26-14-13(22)15(25-8-24-14)27-28-16(29)12-3-1-2-6-23-12/h1-8H,22H2,(H,28,29)(H2,24,25,26,27)
InChIKeyABWRQLJOSBQWRT-UHFFFAOYSA-N
MW423.79 g/mol
LogP3.63
Rot. Bonds5

About N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide

N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 19151977) has the molecular formula C17H13ClF3N7O and a molecular weight of 423.79 g/mol. Its IUPAC name is N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID19151977
Molecular FormulaC17H13ClF3N7O
Molecular Weight423.79 g/mol
Exact Mass423.08
IUPAC NameN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccccn2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N7O/c18-11-5-4-9(7-10(11)17(19,20)21)26-14-13(22)15(25-8-24-14)27-28-16(29)12-3-1-2-6-23-12/h1-8H,22H2,(H,28,29)(H2,24,25,26,27)
InChIKeyABWRQLJOSBQWRT-UHFFFAOYSA-N
XLogP3.63
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.79
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152181
4-N-(2-chlorophenyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19147954
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19152376
methyl 2-[[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoate
CID 19146267
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146769
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144804
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153044
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19135675
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 22545639

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide (CID 19151977) is N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide is Nc1c(NNC(=O)c2ccccn2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is ABWRQLJOSBQWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N7O/c18-11-5-4-9(7-10(11)17(19,20)21)26-14-13(22)15(25-8-24-14)27-28-16(29)12-3-1-2-6-23-12/h1-8H,22H2,(H,28,29)(H2,24,25,26,27).
What are the key properties of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 423.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 19151977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).