6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

C21H17F3N4O3 — CID 16745805

IUPAC6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N)nc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H17F3N4O3/c1-31-17-8-13(20(30)27-15-4-2-3-14(9-15)21(22,23)24)7-16(10-17)28-19(29)12-5-6-18(25)26-11-12/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29)
InChIKeyIEFOVQIVXFYKBQ-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.20
Rot. Bonds5

About 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 16745805) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID16745805
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N)nc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H17F3N4O3/c1-31-17-8-13(20(30)27-15-4-2-3-14(9-15)21(22,23)24)7-16(10-17)28-19(29)12-5-6-18(25)26-11-12/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29)
InChIKeyIEFOVQIVXFYKBQ-UHFFFAOYSA-N
XLogP4.20
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide 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

2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide
CID 44442395
6-amino-5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544354
6-amino-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]pyridine-3-carboxamide
CID 89462922
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotinamide
CID 9968179
2-(3-methoxy-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10453719
4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)-6-(3-(trifluoromethoxy)phenylamino)nicotinamide
CID 11247557
N-(4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)-3-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 17748275

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 16745805) is 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(N)nc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is IEFOVQIVXFYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-31-17-8-13(20(30)27-15-4-2-3-14(9-15)21(22,23)24)7-16(10-17)28-19(29)12-5-6-18(25)26-11-12/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29).
What are the key properties of 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 16745805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).