2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide

C21H17F3N4O3 — CID 16745815

IUPAC2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(N)c2)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(10-15)21(22,23)24)7-16(11-17)28-19(29)12-5-6-26-18(25)9-12/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29)
InChIKeyRDZJISXYOIRMMX-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.20
Rot. Bonds5

About 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide

2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 16745815) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID16745815
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(N)c2)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(10-15)21(22,23)24)7-16(11-17)28-19(29)12-5-6-26-18(25)9-12/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29)
InChIKeyRDZJISXYOIRMMX-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

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Related Compounds

N-((4-((2-aminopyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-2-(4-fluorophenyl)acetamide
CID 17748441
2-(Methylamino)triazine 59
CID 23646935
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide
CID 44442395
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
3-({4-[(3-Hydroxy-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138014
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-[6-(cyclopropanecarbonylamino)pyridin-3-yl]-3-methoxybenzamide
CID 1452890
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
N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)-3-(trifluoro-methoxy)benzamide
CID 44133722

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide (CID 16745815) is 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide is COc1cc(NC(=O)c2ccnc(N)c2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is RDZJISXYOIRMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-31-17-8-13(20(30)27-15-4-2-3-14(10-15)21(22,23)24)7-16(11-17)28-19(29)12-5-6-26-18(25)9-12/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29).
What are the key properties of 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide?
2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-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 2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 16745815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).