N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C30H24F3N5O3 — CID 155431376

IUPACN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O
InChIInChI=1S/C30H24F3N5O3/c1-38-16-22(19-5-4-6-20(13-19)30(31,32)33)21-14-25(36-26(21)29(38)41)28(40)35-15-17-9-11-18(12-10-17)27(39)37-24-8-3-2-7-23(24)34/h2-14,16,36H,15,34H2,1H3,(H,35,40)(H,37,39)
InChIKeyPPNWXGKAFUBYFM-UHFFFAOYSA-N
MW559.55 g/mol
LogP5.32
Rot. Bonds6

About N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431376) has the molecular formula C30H24F3N5O3 and a molecular weight of 559.55 g/mol. Its IUPAC name is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431376
Molecular FormulaC30H24F3N5O3
Molecular Weight559.55 g/mol
Exact Mass559.18
IUPAC NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O
InChIInChI=1S/C30H24F3N5O3/c1-38-16-22(19-5-4-6-20(13-19)30(31,32)33)21-14-25(36-26(21)29(38)41)28(40)35-15-17-9-11-18(12-10-17)27(39)37-24-8-3-2-7-23(24)34/h2-14,16,36H,15,34H2,1H3,(H,35,40)(H,37,39)
InChIKeyPPNWXGKAFUBYFM-UHFFFAOYSA-N
XLogP5.32
TPSA122.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.55
LogP ≤ 55.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431376) is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2cccc(C(F)(F)F)c2)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O.
What is the InChIKey of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is PPNWXGKAFUBYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N5O3/c1-38-16-22(19-5-4-6-20(13-19)30(31,32)33)21-14-25(36-26(21)29(38)41)28(40)35-15-17-9-11-18(12-10-17)27(39)37-24-8-3-2-7-23(24)34/h2-14,16,36H,15,34H2,1H3,(H,35,40)(H,37,39).
What are the key properties of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 559.55 g/mol, XLogP of 5.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).